Molecule FYI-1015630

A

Molecule Summary:

ID: FYI-1015630
Names:
InChIKey: QFBOOIDMHGBYKM-UHFFFAOYSA-N
SMILES: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)c(OC)c3

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

Molecule ID: FYI-1015630 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-1015630
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
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  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
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  9  8  2  0  0  0  0
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 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-1015630-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -2.1276    0.2012    3.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7864    1.0297    4.3037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    0.8804    4.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4635    0.0562    4.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -0.0257    4.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098    0.6981    6.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2106    0.4601    6.7524 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589    0.0717    6.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834    0.1090    4.7645 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474   -0.2857    7.3262 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428   -0.4530    8.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956   -0.7361    8.9926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1074   -0.2064    9.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4047    0.1728    9.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3386    0.6569   10.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.7577   11.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7555    0.3148   11.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905   -0.1785   11.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761   -0.6375   11.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5572   -2.0224   12.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386   -2.5739   12.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -1.9517   12.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151   -2.6192   13.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   -3.9117   13.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -4.7266   14.5478 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5149   -4.5473   13.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0117    1.5323    6.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0893    2.2690    7.7465 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    2.9740    7.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6507   -5.5581   14.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512   -4.3781   13.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0395    3.9629    8.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8584    2.4516    8.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120    2.2576    6.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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
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 20 21  1  0  0  0  0
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 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
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 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
$$$$

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2025-09-24, 477👍, 0💬