Molecule FYI-1015634

A

Molecule Summary:

ID: FYI-1015634
Names:
InChIKey: ROCIFXMCXREOFS-UHFFFAOYSA-N
SMILES: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3OC

Received at FYIcenter.com on: 2025-09-20

Molecule ID: FYI-1015634 Edit

Molecule Structure InChIKey: ROCIFXMCXREOFS-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015634
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
 28  6  1  0  0  0  0
 29 28  2  0  0  0  0
 29  3  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015634-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -2.5202   -1.3980    4.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -1.8646    3.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1668   -1.2573    4.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340   -0.7511    5.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946   -0.2028    6.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151   -0.1459    5.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2075    0.3775    6.5155 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922    0.6647    6.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0976    0.9912    4.6120 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4096    0.6735    7.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823    0.6323    8.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386    0.7209    8.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471    0.4747    9.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635    0.2581   10.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963   -0.0203   11.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2404   -0.0996   11.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    0.1600   10.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    0.4873    9.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239    0.8052    7.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0840   -0.3319    7.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5456   -0.3164    5.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0907    0.7821    5.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4472    0.6715    3.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2679   -0.5310    3.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6949   -0.6507    1.3658 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7369   -1.6343    3.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3753   -1.5235    5.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1906   -0.6889    4.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649   -1.2323    3.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471   -1.7660    2.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363   -1.6379    1.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2533   -1.8731    3.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6021   -0.3142    4.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7668   -1.6951    5.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1447   -0.8038    6.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090    0.1628    7.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0403    0.5272    7.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3441    0.5811    6.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9109    0.2887   11.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5652   -0.1952   12.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9719   -0.3604   12.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7149    0.0951    9.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4012    0.9940    7.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    1.7172    7.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2262    1.7422    5.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8519    1.5373    3.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851   -2.5746    3.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415   -2.3811    5.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275   -0.7486    3.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8155   -1.7680    0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1292   -0.6467    1.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -2.4330    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 508👍, 0💬