
 CHEMBL3221189

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.5387   -5.7528    2.8189 C   0  0  0  0  0
    5.4427   -5.1962    1.9294 C   0  0  0  0  0
    5.6306   -3.7992    1.6142 N   0  0  0  0  0
    4.6412   -3.0088    1.1083 C   0  0  0  0  0
    3.4717   -3.2751    0.9005 O   0  0  0  0  0
    5.3533   -1.7300    0.8210 C   0  0  0  0  0
    4.7144   -0.6531    0.3472 C   0  0  0  0  0
    5.3073    0.6605    0.0453 C   0  0  0  0  0
    4.5055    1.8047    0.1967 C   0  0  0  0  0
    5.0028    3.0749   -0.1104 C   0  0  0  0  0
    6.3136    3.2037   -0.5709 C   0  0  0  0  0
    7.1163    2.0775   -0.7389 C   0  0  0  0  0
    6.6113    0.8116   -0.4408 C   0  0  0  0  0
    4.3165    4.2544   -0.0055 O   0  0  0  0  0
    2.9405    4.1704    0.3752 C   0  0  0  0  0
    2.2616    5.5248    0.3371 C   0  0  0  0  0
    2.9625    6.6880   -0.0263 C   0  0  0  0  0
    2.3233    7.9295   -0.0678 C   0  0  0  0  0
    0.9730    8.0317    0.2536 C   0  0  0  0  0
    0.2607    6.8914    0.6191 C   0  0  0  0  0
    0.8990    5.6479    0.6615 C   0  0  0  0  0
   -0.0500    4.2773    1.1237 Cl  0  0  0  0  0
    6.6870   -1.8715    1.1266 N   0  0  0  0  0
    6.7802   -3.0881    1.5608 C   0  0  0  0  0
    8.2825   -3.7570    2.0844 S   0  0  0  0  0
    7.8989   -5.5180    2.1868 C   0  0  0  0  0
    6.4935   -5.2942    3.8148 H   0  0  0  0  0
    6.3794   -6.8284    2.9561 H   0  0  0  0  0
    4.4625   -5.3213    2.4036 H   0  0  0  0  0
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    3.6405   -0.7236    0.1805 H   0  0  0  0  0
    3.4934    1.6787    0.5682 H   0  0  0  0  0
    6.7108    4.1878   -0.8061 H   0  0  0  0  0
    8.1345    2.1827   -1.1037 H   0  0  0  0  0
    7.2535   -0.0530   -0.5919 H   0  0  0  0  0
    2.8810    3.7835    1.3998 H   0  0  0  0  0
    2.4135    3.5116   -0.3261 H   0  0  0  0  0
    4.0190    6.6387   -0.2845 H   0  0  0  0  0
    2.8838    8.8166   -0.3535 H   0  0  0  0  0
    0.4759    8.9976    0.2195 H   0  0  0  0  0
   -0.7937    6.9767    0.8692 H   0  0  0  0  0
    7.9409   -5.9516    1.1818 H   0  0  0  0  0
    8.6772   -6.0014    2.7855 H   0  0  0  0  0
  1 26  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3 24  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 23  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 32  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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M  END

>  <Chemical Name>
CHEMBL3221189

>  <PubChem CID>
90667655

>  <Formula>
C20H17ClN2O2S

>  <Molecular Weight>
384.878000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2C(=O)C(=CC3=CC(=CC=C3)OCC4=CC=CC=C4Cl)N=C2SC1

>  <Isomeric SMILES>
C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=CC=C4Cl)/N=C2SC1

>  <InChI Std. ID>
InChI=1S/C20H17ClN2O2S/c21-17-8-2-1-6-15(17)13-25-16-7-3-5-14(11-16)12-18-19(24)23-9-4-10-26-20(23)22-18/h1-3,5-8,11-12H,4,9-10,13H2/b18-12-

>  <InChI Key>
STEMEZOWSYEKBF-PDGQHHTCSA-N

