
 AC1MEFGH

 53 54  0  0  0  0  0  0  0  0999 V2000
    1.2240   -0.6032   -0.4473 C   0  0  0  0  0
    2.5045   -0.1669    0.2289 C   0  0  0  0  0
    2.9476   -0.6428    1.3540 N   0  0  0  0  0
    2.2630   -1.6639    1.9456 N   0  0  0  0  0
    2.7068   -2.2245    3.1114 C   0  0  0  0  0
    1.9505   -3.5233    3.8120 S   0  0  0  0  0
    3.8036   -1.6494    3.6556 N   0  0  0  0  0
    3.3087    0.9242   -0.4738 C   0  0  0  0  0
    4.8392    0.8489   -0.2714 C   0  0  0  0  0
    5.3814   -0.5204   -0.7398 C   0  0  0  0  0
    6.8825   -0.6103   -0.8965 C   0  0  0  0  0
    7.6961    0.4670   -0.8375 C   0  0  0  0  0
    7.1256    1.8555   -0.6177 C   0  0  0  0  0
    5.6184    2.0185   -0.9520 C   0  0  0  0  0
    5.4324    2.0440   -2.4861 C   0  0  0  0  0
    5.1629    3.3869   -0.4020 C   0  0  0  0  0
    9.2232    0.3536   -0.9879 C   0  0  0  0  0
    9.6978   -1.1123   -0.8033 C   0  0  0  0  0
    8.8373   -2.1014   -1.5752 C   0  0  0  0  0
    7.3848   -2.0176   -1.1242 C   0  0  0  0  0
    9.6239    0.8484   -2.3952 C   0  0  0  0  0
    9.9709    1.2036    0.0612 C   0  0  0  0  0
    0.9077    0.1462   -1.1784 H   0  0  0  0  0
    0.4172   -0.7166    0.2809 H   0  0  0  0  0
    1.3965   -1.5509   -0.9640 H   0  0  0  0  0
    1.4629   -2.0946    1.4963 H   0  0  0  0  0
    4.2364   -0.8989    3.1299 H   0  0  0  0  0
    4.2340   -2.0115    4.4935 H   0  0  0  0  0
    2.9145    1.8741   -0.0974 H   0  0  0  0  0
    3.0734    0.8721   -1.5424 H   0  0  0  0  0
    5.0332    0.9178    0.8097 H   0  0  0  0  0
    4.9228   -0.7915   -1.6996 H   0  0  0  0  0
    5.0729   -1.2880   -0.0200 H   0  0  0  0  0
    7.2933    2.1151    0.4367 H   0  0  0  0  0
    7.6890    2.5874   -1.2089 H   0  0  0  0  0
    5.7281    1.1038   -2.9608 H   0  0  0  0  0
    6.0396    2.8375   -2.9379 H   0  0  0  0  0
    4.3920    2.2434   -2.7623 H   0  0  0  0  0
    5.1975    3.4056    0.6929 H   0  0  0  0  0
    4.1421    3.6327   -0.7120 H   0  0  0  0  0
    5.8109    4.1922   -0.7677 H   0  0  0  0  0
   10.7437   -1.2182   -1.1184 H   0  0  0  0  0
    9.6691   -1.3831    0.2614 H   0  0  0  0  0
    8.9054   -1.9066   -2.6516 H   0  0  0  0  0
    9.2098   -3.1208   -1.4210 H   0  0  0  0  0
    6.7609   -2.5199   -1.8732 H   0  0  0  0  0
    7.2680   -2.5761   -0.1864 H   0  0  0  0  0
    9.0690    0.3290   -3.1844 H   0  0  0  0  0
   10.6924    0.6890   -2.5798 H   0  0  0  0  0
    9.4329    1.9202   -2.5190 H   0  0  0  0  0
    9.6641    0.9388    1.0795 H   0  0  0  0  0
    9.7908    2.2759   -0.0734 H   0  0  0  0  0
   11.0543    1.0508   -0.0110 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  8  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 22  1  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
M  END

>  <Chemical Name>
AC1MEFGH

>  <PubChem CID>
2854355

>  <Formula>
C18H31N3S

>  <Molecular Weight>
321.527000

>  <IUPAC Name>
[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=NNC(=S)N)CC1CC2=C(CC1(C)C)C(CCC2)(C)C

>  <Isomeric SMILES>
CC(=NNC(=S)N)CC1CC2=C(CC1(C)C)C(CCC2)(C)C

>  <InChI Std. ID>
InChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)

>  <InChI Key>
AAODAXBGVQWVMB-UHFFFAOYSA-N

