
 CHEMBL3221184

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.7467   -1.1673   -1.1206 C   0  0  0  0  0
    2.2640   -0.2570    0.0118 C   0  0  0  0  0
    2.5495   -0.8885    1.3769 C   0  0  0  0  0
    2.8664    1.1323   -0.0894 C   0  0  0  0  0
    2.0340    2.2518   -0.2190 C   0  0  0  0  0
    2.5745    3.5408   -0.2996 C   0  0  0  0  0
    3.9587    3.7444   -0.2407 C   0  0  0  0  0
    4.7891    2.6240   -0.1347 C   0  0  0  0  0
    4.2514    1.3358   -0.0506 C   0  0  0  0  0
    4.4815    5.1167   -0.3488 C   0  0  0  0  0
    5.5960    5.5898    0.2227 C   0  0  0  0  0
    6.0283    7.0091    0.0689 C   0  0  0  0  0
    5.4476    7.9081   -0.5098 O   0  0  0  0  0
    7.1953    7.0504    0.7751 N   0  0  0  0  0
    7.9246    8.2714    1.0257 C   0  0  0  0  0
    9.3408    8.0296    1.5160 C   0  0  0  0  0
    9.3304    7.1302    2.7390 C   0  0  0  0  0
    8.7335    5.4772    2.3285 S   0  0  0  0  0
    7.3726    5.8278    1.3261 C   0  0  0  0  0
    6.4900    4.9277    1.0318 N   0  0  0  0  0
    2.5396   -0.7186   -2.0985 H   0  0  0  0  0
    2.2356   -2.1353   -1.0803 H   0  0  0  0  0
    3.8236   -1.3593   -1.0629 H   0  0  0  0  0
    1.1735   -0.1734   -0.0858 H   0  0  0  0  0
    3.6214   -1.0473    1.5386 H   0  0  0  0  0
    2.0525   -1.8607    1.4637 H   0  0  0  0  0
    2.1816   -0.2502    2.1881 H   0  0  0  0  0
    0.9534    2.1330   -0.2551 H   0  0  0  0  0
    1.8963    4.3858   -0.3960 H   0  0  0  0  0
    5.8707    2.7334   -0.1103 H   0  0  0  0  0
    4.9331    0.4945    0.0488 H   0  0  0  0  0
    3.8713    5.7975   -0.9400 H   0  0  0  0  0
    7.9336    8.8699    0.1077 H   0  0  0  0  0
    7.3545    8.8405    1.7703 H   0  0  0  0  0
    9.9515    7.5869    0.7190 H   0  0  0  0  0
    9.8012    8.9905    1.7725 H   0  0  0  0  0
    8.6996    7.5524    3.5286 H   0  0  0  0  0
   10.3434    7.0362    3.1426 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL3221184

>  <PubChem CID>
10902223

>  <Formula>
C16H18N2OS

>  <Molecular Weight>
286.393000

>  <IUPAC Name>
(2Z)-2-[(4-propan-2-ylphenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

>  <XlogP>
3.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)C=C2C(=O)N3CCCSC3=N2

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)N3CCCSC3=N2

>  <InChI Std. ID>
InChI=1S/C16H18N2OS/c1-11(2)13-6-4-12(5-7-13)10-14-15(19)18-8-3-9-20-16(18)17-14/h4-7,10-11H,3,8-9H2,1-2H3/b14-10-

>  <InChI Key>
ONQXDSAOZGJTQF-UVTDQMKNSA-N

