
 CHEMBL2442636

 37 37  0  0  0  0  0  0  0  0999 V2000
   -0.0744    3.5881   -0.7173 C   0  0  0  0  0
    1.4385    3.7114   -0.9008 C   0  0  0  0  0
    1.7946    5.1344   -1.3354 C   0  0  0  0  0
    2.1540    3.3014    0.3949 C   0  0  0  0  0
    3.5970    3.3475    0.2659 N   0  0  0  0  0
    4.3383    4.3553    0.8318 C   0  0  0  0  0
    3.8732    5.2634    1.5082 O   0  0  0  0  0
    5.7876    4.2355    0.5481 C   0  0  0  0  0
    6.6564    4.9378    1.2896 C   0  0  0  0  0
    8.0901    4.8823    1.1310 C   0  0  0  0  0
    8.7375    5.1374   -0.0153 C   0  0  0  0  0
   10.1813    5.0919   -0.1065 C   0  0  0  0  0
   10.8583    5.4029   -1.2228 C   0  0  0  0  0
   12.2838    5.3416   -1.2923 C   0  0  0  0  0
   13.2273    4.9585   -0.3508 C   0  0  0  0  0
   14.5679    5.0366   -0.8266 C   0  0  0  0  0
   14.6250    5.4811   -2.1253 C   0  0  0  0  0
   13.0714    5.7985   -2.7606 S   0  0  0  0  0
   -0.3520    2.5655   -0.4399 H   0  0  0  0  0
   -0.6014    3.8375   -1.6447 H   0  0  0  0  0
   -0.4354    4.2620    0.0680 H   0  0  0  0  0
    1.7443    3.0280   -1.7028 H   0  0  0  0  0
    1.5758    5.8599   -0.5440 H   0  0  0  0  0
    1.2260    5.4228   -2.2264 H   0  0  0  0  0
    2.8568    5.2171   -1.5894 H   0  0  0  0  0
    1.8998    2.2663    0.6492 H   0  0  0  0  0
    1.8319    3.9335    1.2304 H   0  0  0  0  0
    4.0539    2.6153   -0.2597 H   0  0  0  0  0
    6.1095    3.5807   -0.2502 H   0  0  0  0  0
    6.2985    5.5564    2.1126 H   0  0  0  0  0
    8.6426    4.6671    2.0444 H   0  0  0  0  0
    8.1816    5.4037   -0.9114 H   0  0  0  0  0
   10.7066    4.7859    0.7939 H   0  0  0  0  0
   10.3155    5.7169   -2.1132 H   0  0  0  0  0
   12.9769    4.6286    0.6492 H   0  0  0  0  0
   15.4439    4.7792   -0.2438 H   0  0  0  0  0
   15.5033    5.6356   -2.7360 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2442636

>  <PubChem CID>
73349612

>  <Formula>
C15H19NOS

>  <Molecular Weight>
261.383000

>  <IUPAC Name>
(2E,4E,6E)-N-(2-methylpropyl)-7-thiophen-2-ylhepta-2,4,6-trienamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)CNC(=O)C=CC=CC=CC1=CC=CS1

>  <Isomeric SMILES>
CC(C)CNC(=O)/C=C/C=C/C=C/C1=CC=CS1

>  <InChI Std. ID>
InChI=1S/C15H19NOS/c1-13(2)12-16-15(17)10-6-4-3-5-8-14-9-7-11-18-14/h3-11,13H,12H2,1-2H3,(H,16,17)/b4-3+,8-5+,10-6+

>  <InChI Key>
HGIRIKHYYMPDAG-IZMYCKBJSA-N

