
 4-CMTB

 34 35  0  0  0  0  0  0  0  0999 V2000
   -0.7034   -1.7618    3.1453 C   0  0  0  0  0
    0.2552   -0.5727    3.0381 C   0  0  0  0  0
   -0.2818    0.5954    3.8725 C   0  0  0  0  0
    1.7424   -0.8817    3.3736 C   0  0  0  0  0
    2.0628   -1.2894    4.8136 C   0  0  0  0  0
    1.6568   -2.5098    5.3709 C   0  0  0  0  0
    2.0002   -2.8473    6.6843 C   0  0  0  0  0
    2.7639   -1.9717    7.4510 C   0  0  0  0  0
    3.1851   -0.7585    6.9180 C   0  0  0  0  0
    2.8342   -0.4194    5.6096 C   0  0  0  0  0
    3.1993   -2.3954    9.0604 Cl  0  0  0  0  0
    2.3518   -1.8393    2.3322 C   0  0  0  0  0
    2.2860   -3.0679    2.4619 O   0  0  0  0  0
    2.9682   -1.3857    1.2039 N   0  0  0  0  0
    3.1558   -0.0984    0.8015 C   0  0  0  0  0
    2.7209    1.0165    1.3290 N   0  0  0  0  0
    3.1985    2.0870    0.5987 C   0  0  0  0  0
    3.9844    1.7609   -0.4859 C   0  0  0  0  0
    4.1138    0.0544   -0.6055 S   0  0  0  0  0
   -0.3478   -2.6219    2.5712 H   0  0  0  0  0
   -1.6866   -1.4904    2.7431 H   0  0  0  0  0
   -0.8593   -2.0718    4.1823 H   0  0  0  0  0
    0.2225   -0.2519    1.9874 H   0  0  0  0  0
   -0.3666    0.3297    4.9310 H   0  0  0  0  0
   -1.2770    0.8911    3.5228 H   0  0  0  0  0
    0.3712    1.4700    3.7884 H   0  0  0  0  0
    2.2705    0.0670    3.2677 H   0  0  0  0  0
    1.0900   -3.2281    4.7826 H   0  0  0  0  0
    1.6786   -3.8012    7.0937 H   0  0  0  0  0
    3.7894   -0.0756    7.5081 H   0  0  0  0  0
    3.1803    0.5334    5.2110 H   0  0  0  0  0
    3.3606   -2.1085    0.6178 H   0  0  0  0  0
    2.9439    3.0948    0.9061 H   0  0  0  0  0
    4.4689    2.4210   -1.1912 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
4-CMTB

>  <PubChem CID>
4307629

>  <Formula>
C14H15ClN2OS

>  <Molecular Weight>
294.797000

>  <IUPAC Name>
2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2

>  <Isomeric SMILES>
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2

>  <InChI Std. ID>
InChI=1S/C14H15ClN2OS/c1-9(2)12(10-3-5-11(15)6-4-10)13(18)17-14-16-7-8-19-14/h3-9,12H,1-2H3,(H,16,17,18)

>  <InChI Key>
AZYDQCGCBQYFSE-UHFFFAOYSA-N

