Molecule Editor

Molecule ID: FYI-1015632 Edit

Molecule Structure InChIKey: QFBOOIDMHGBYKM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)c(OC)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015632
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
    9.6996    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    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
  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  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  2  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015632-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -0.6171    4.6938    1.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9964    5.2345    0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0844    5.0820   -0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2753    4.8622   -0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1221    4.7739   -1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6343    4.9033   -3.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5347    5.0240   -4.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8505    4.6509   -4.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    3.2868   -3.6628 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    5.5018   -5.0194 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440    6.4891   -5.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936    6.8696   -6.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904    7.1555   -6.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4011    8.5590   -6.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4418    9.3162   -7.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5765    8.6782   -7.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6577    7.2841   -7.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6226    6.4913   -7.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8028    4.9883   -7.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3340    4.4710   -8.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4067    3.1084   -8.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412    2.1967   -7.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8636    0.8267   -7.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4633    0.3570   -9.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188   -1.3287   -9.4716 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0246    1.2484  -10.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9969    2.6195   -9.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574    5.1054   -3.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3801    5.2786   -4.5896 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    4.4423   -5.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    5.2113   -2.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754    4.7804    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    5.2574    1.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3644    3.6317    1.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    4.8085    0.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843    4.6946   -1.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    5.6653   -5.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6571    5.3222   -4.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165    9.0698   -6.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3661   10.4005   -7.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3964    9.2650   -8.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5465    6.8115   -8.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2877    4.4826   -6.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8711    4.7606   -7.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1628    2.5090   -6.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1997    0.1305   -7.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7097    0.8903  -11.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6570    3.3136  -10.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568    4.1321   -6.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    3.5338   -5.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573    5.0240   -6.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6461    5.3955   -2.4163 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 31  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 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$