
 AC1OSKCM

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.3972   -4.5215    2.1932 C   0  0  0  0  0
    6.7727   -3.6450    3.2480 C   0  0  0  0  0
    7.6040   -2.9837    4.1655 C   0  0  0  0  0
    7.0551   -2.1688    5.1444 C   0  0  0  0  0
    5.6743   -2.0060    5.2065 C   0  0  0  0  0
    4.8170   -2.6574    4.2916 C   0  0  0  0  0
    5.3797   -3.4962    3.2994 C   0  0  0  0  0
    4.6135   -4.1605    2.4128 N   0  0  0  0  0
    3.2750   -4.0137    2.4538 C   0  0  0  0  0
    2.6386   -3.2008    3.3733 C   0  0  0  0  0
    3.4081   -2.5152    4.3179 C   0  0  0  0  0
    2.7070   -1.6602    5.3386 C   0  0  0  0  0
    2.2993   -4.9318    1.2758 S   0  0  0  0  0
    3.4682   -6.2756    0.9269 C   0  0  0  0  0
    2.8643   -7.2423   -0.0720 C   0  0  0  0  0
    3.0861   -7.1681   -1.2760 O   0  0  0  0  0
    2.0782   -8.2306    0.4925 N   0  0  0  0  0
    1.3953   -9.2716   -0.3020 C   0  0  0  0  0
    2.3932  -10.1202   -1.1336 C   0  0  0  0  0
    3.3460  -10.9346   -0.2573 C   0  0  0  0  0
    2.5795  -11.8496    0.6896 C   0  0  0  0  0
    1.5833  -11.0669    1.5369 C   0  0  0  0  0
    0.6454  -10.2202    0.6737 C   0  0  0  0  0
    0.3772   -8.6650   -1.2091 C   0  0  0  0  0
   -0.4592   -8.2286   -1.8856 N   0  0  0  0  0
    8.4870   -4.5604    2.2964 H   0  0  0  0  0
    7.1726   -4.1329    1.1945 H   0  0  0  0  0
    7.0222   -5.5465    2.2795 H   0  0  0  0  0
    8.6841   -3.1047    4.1178 H   0  0  0  0  0
    7.6989   -1.6593    5.8566 H   0  0  0  0  0
    5.2727   -1.3596    5.9831 H   0  0  0  0  0
    1.5566   -3.1114    3.3671 H   0  0  0  0  0
    1.6223   -1.6590    5.1864 H   0  0  0  0  0
    3.0477   -0.6224    5.2682 H   0  0  0  0  0
    2.8957   -2.0434    6.3467 H   0  0  0  0  0
    3.7010   -6.8128    1.8530 H   0  0  0  0  0
    4.4034   -5.8954    0.5041 H   0  0  0  0  0
    1.7012   -8.0240    1.4107 H   0  0  0  0  0
    2.9825   -9.5010   -1.8172 H   0  0  0  0  0
    1.8354  -10.8145   -1.7761 H   0  0  0  0  0
    4.0035  -11.5369   -0.8944 H   0  0  0  0  0
    3.9936  -10.2634    0.3196 H   0  0  0  0  0
    2.0446  -12.6100    0.1070 H   0  0  0  0  0
    3.2813  -12.3831    1.3403 H   0  0  0  0  0
    0.9916  -11.7648    2.1408 H   0  0  0  0  0
    2.1254  -10.4236    2.2399 H   0  0  0  0  0
   -0.0056  -10.8988    0.1053 H   0  0  0  0  0
   -0.0184   -9.6432    1.3330 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 25  3  0  0  0
M  END

>  <Chemical Name>
AC1OSKCM

>  <PubChem CID>
7743649

>  <Formula>
C20H23N3OS

>  <Molecular Weight>
353.484000

>  <IUPAC Name>
N-(1-cyanocyclohexyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3(CCCCC3)C#N

>  <Isomeric SMILES>
CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3(CCCCC3)C#N

>  <InChI Std. ID>
InChI=1S/C20H23N3OS/c1-14-7-6-8-16-15(2)11-18(22-19(14)16)25-12-17(24)23-20(13-21)9-4-3-5-10-20/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,23,24)

>  <InChI Key>
ADQRKYUCAOFPJT-UHFFFAOYSA-N

