Molecule Editor

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
    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-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
    6.6134   -8.8621    2.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8895   -8.5446    2.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365   -9.0742    3.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9207   -9.9352    4.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6590  -10.3127    4.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4847   -9.7922    3.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.6923  -11.5811    5.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257  -12.2959    5.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2839  -13.5201    4.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493  -14.3997    5.1566 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1981  -14.0316    3.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649  -13.3155    3.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825   -5.6228    3.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863   -6.4710    4.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8461   -6.3908    5.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1119   -5.0269    3.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8052  -11.8893    6.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131  -14.9859    3.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752  -13.7136    2.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -6.4552    6.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3944   -5.4636    5.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486   -7.2609    5.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5850   -5.2293    4.6929 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 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
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 20 21  1  0  0  0  0
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 21 27  2  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
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 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$