
 CHEMBL3287825

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.4172   -3.9311   -1.6118 C   0  0  0  0  0
    1.5897   -4.8764   -1.4263 C   0  0  0  0  0
    2.7409   -3.9430   -1.0725 C   0  0  0  0  0
    2.4655   -2.6397   -1.8408 C   0  0  0  0  0
    1.0334   -2.7727   -2.3829 C   0  0  0  0  0
    2.6089   -1.1570   -0.7768 S   0  0  0  0  0
    4.3770   -1.2158   -0.3587 C   0  0  0  0  0
    5.2892   -0.9204   -1.5209 C   0  0  0  0  0
    5.4477    0.3976   -1.9922 C   0  0  0  0  0
    6.3577    0.6946   -3.0113 C   0  0  0  0  0
    7.0413   -0.3632   -3.6206 C   0  0  0  0  0
    6.8623   -1.6804   -3.2003 C   0  0  0  0  0
    6.0010   -1.9560   -2.1426 C   0  0  0  0  0
    6.5423    1.9618   -3.5688 N   0  0  0  0  0
    6.7366    3.0945   -2.9477 C   0  0  0  0  0
    6.8194    3.3113   -1.5031 C   0  0  0  0  0
    7.3091    2.5155   -0.4842 C   0  0  0  0  0
    7.1877    3.1277    0.8002 C   0  0  0  0  0
    6.6451    4.3871    0.7222 C   0  0  0  0  0
    6.2737    4.8250   -0.8827 S   0  0  0  0  0
    6.8551    4.1491   -3.8233 N   0  0  0  0  0
   -0.4114   -4.3961   -2.1530 H   0  0  0  0  0
    0.0455   -3.5871   -0.6395 H   0  0  0  0  0
    1.8051   -5.4049   -2.3625 H   0  0  0  0  0
    1.4061   -5.6223   -0.6477 H   0  0  0  0  0
    2.7552   -3.7926    0.0137 H   0  0  0  0  0
    3.7032   -4.3832   -1.3542 H   0  0  0  0  0
    3.1509   -2.5264   -2.6866 H   0  0  0  0  0
    0.4277   -1.8635   -2.3139 H   0  0  0  0  0
    1.0817   -3.0436   -3.4459 H   0  0  0  0  0
    4.6202   -2.1837    0.0935 H   0  0  0  0  0
    4.5611   -0.4722    0.4257 H   0  0  0  0  0
    4.8573    1.1963   -1.5496 H   0  0  0  0  0
    7.7070   -0.1517   -4.4543 H   0  0  0  0  0
    7.3912   -2.4857   -3.7028 H   0  0  0  0  0
    5.8794   -2.9861   -1.8156 H   0  0  0  0  0
    7.7357    1.5340   -0.6438 H   0  0  0  0  0
    7.4943    2.6698    1.7329 H   0  0  0  0  0
    6.4528    5.0793    1.5345 H   0  0  0  0  0
    6.4984    3.9080   -4.7403 H   0  0  0  0  0
    6.5331    5.0403   -3.4688 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
 12 35  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 15 21  1  0  0  0
 15 16  1  0  0  0
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 17 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3287825

>  <PubChem CID>
90644565

>  <Formula>
C17H20N2S2

>  <Molecular Weight>
316.481000

>  <IUPAC Name>
N'-[3-(cyclopentylsulfanylmethyl)phenyl]thiophene-2-carboximidamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C1)SCC2=CC(=CC=C2)N=C(C3=CC=CS3)N

>  <Isomeric SMILES>
C1CCC(C1)SCC2=CC(=CC=C2)N=C(C3=CC=CS3)N

>  <InChI Std. ID>
InChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)

>  <InChI Key>
CZNOVFZVCWXLGM-UHFFFAOYSA-N

