Molecule FYI-1015628

A

Molecule Summary:

ID: FYI-1015628
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-1015628 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-1015628
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
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    6.0623    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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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 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-1015628-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -2.0177   -2.9273    1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5524   -3.6882    2.9285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -4.1895    2.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6098   -3.9425    1.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802   -4.5237    1.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820   -5.3736    2.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4886   -6.0968    2.7442 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922   -5.7620    2.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321   -4.2543    1.6772 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6172   -6.7863    2.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4172   -8.1240    2.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -8.6534    2.3668 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1565  -10.2827    4.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7984  -11.4893    3.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222  -12.0874    4.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 31  2  0  0  0  0
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  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
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  6 28  2  0  0  0  0
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 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

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2025-09-24, 460👍, 0💬