Molecule Editor

Molecule ID: FYI-1008242 Edit

Molecule Structure InChIKey: KMDPORBLAPWATF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4=C(C(=O)NNCc1cccc(Cl)c1Cl)C(c2c[nH]c3ccccc23)NC(=S)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1008242
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4385    0.0462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260    2.1461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385    2.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509    2.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0063    0.0589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9517    2.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2086    2.0470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6323    3.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5989    1.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    1.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9791    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3866    1.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5541    2.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4341    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1466    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1084    3.8870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4075    4.8974    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4387    4.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    6.4004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389    6.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8022    7.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328    7.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    4.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
  4 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 26 30  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008242-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    2.5049   -1.7518    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -0.5069    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0428    0.7954    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4938    1.1619    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3317    0.4099    0.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8892    2.3934   -0.3420 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2613    2.7766   -0.2228 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9943    2.4628   -1.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4805    2.7161   -1.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2858    1.6676   -0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    1.8239   -0.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2650    3.0342   -1.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4851    4.0924   -1.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3135    5.5597   -1.8883 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0924    3.9438   -1.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329    5.2684   -2.2220 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0092    1.8885   -0.0934 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1120    3.0387    0.8685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990    2.9808    2.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1594    4.2569    2.7409 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    5.1608    1.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713    6.5590    1.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    7.2325    0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    6.5340   -0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218    5.1366   -0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825    4.4306    0.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6985    0.1005   -0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2898   -0.3680   -0.1245 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -0.8012   -0.1062 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0323    2.1351    2.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3690    8.3191    0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340    7.0787   -1.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977    4.6152   -1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    2.0725    0.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -1.7742   -0.1565 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 32  1  0  0  0  0
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  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 37  1  0  0  0  0
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  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
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 21 26  2  0  0  0  0
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 28 30  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
$$$$