
 CHEMBL3221190

 43 46  0  0  0  0  0  0  0  0999 V2000
    7.2355   -5.1588    2.1112 C   0  0  0  0  0
    6.1955   -4.5418    1.1918 C   0  0  0  0  0
    6.2179   -3.0957    1.1829 N   0  0  0  0  0
    5.2359   -2.3362    0.6105 C   0  0  0  0  0
    4.1902   -2.6875    0.0967 O   0  0  0  0  0
    5.7888   -0.9514    0.7112 C   0  0  0  0  0
    5.1285    0.1301    0.2745 C   0  0  0  0  0
    5.6161    1.5204    0.3370 C   0  0  0  0  0
    4.6926    2.5676    0.4795 C   0  0  0  0  0
    5.1148    3.9021    0.5534 C   0  0  0  0  0
    6.4764    4.1954    0.4609 C   0  0  0  0  0
    7.4022    3.1684    0.2914 C   0  0  0  0  0
    6.9736    1.8439    0.2194 C   0  0  0  0  0
    4.1114    4.8222    0.7226 O   0  0  0  0  0
    4.5243    6.1852    0.8667 C   0  0  0  0  0
    3.3625    7.1189    1.1456 C   0  0  0  0  0
    3.5845    8.5017    1.2931 C   0  0  0  0  0
    2.5293    9.3775    1.5593 C   0  0  0  0  0
    1.2373    8.8783    1.6826 C   0  0  0  0  0
    0.9917    7.5152    1.5438 C   0  0  0  0  0
    2.0483    6.6399    1.2772 C   0  0  0  0  0
   -0.0652    9.9534    2.0102 Cl  0  0  0  0  0
    5.1695    9.1826    1.1569 Cl  0  0  0  0  0
    7.0376   -1.0040    1.2888 N   0  0  0  0  0
    7.2308   -2.2622    1.5126 C   0  0  0  0  0
    8.6902   -2.8450    2.2235 S   0  0  0  0  0
    8.6138   -4.5990    1.8090 C   0  0  0  0  0
    6.9715   -4.9803    3.1614 H   0  0  0  0  0
    7.2423   -6.2454    1.9674 H   0  0  0  0  0
    5.1898   -4.8731    1.4744 H   0  0  0  0  0
    6.3581   -4.8720    0.1584 H   0  0  0  0  0
    4.1353    0.0008   -0.1504 H   0  0  0  0  0
    3.6288    2.3518    0.5537 H   0  0  0  0  0
    6.8576    5.2093    0.5151 H   0  0  0  0  0
    8.4629    3.3952    0.2206 H   0  0  0  0  0
    7.7228    1.0685    0.0795 H   0  0  0  0  0
    5.0021    6.5061   -0.0672 H   0  0  0  0  0
    5.2183    6.2623    1.7130 H   0  0  0  0  0
    2.7156   10.4422    1.6712 H   0  0  0  0  0
   -0.0181    7.1246    1.6426 H   0  0  0  0  0
    1.8335    5.5773    1.1752 H   0  0  0  0  0
    8.8688   -4.7313    0.7519 H   0  0  0  0  0
    9.3716   -5.1232    2.3995 H   0  0  0  0  0
  1 27  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3 25  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 24  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
 24 25  2  0  0  0
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 27 42  1  0  0  0
 27 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3221190

>  <PubChem CID>
90667656

>  <Formula>
C20H16Cl2N2O2S

>  <Molecular Weight>
419.320000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2C(=O)C(=CC3=CC(=CC=C3)OCC4=C(C=C(C=C4)Cl)Cl)N=C2SC1

>  <Isomeric SMILES>
C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=C(C=C(C=C4)Cl)Cl)/N=C2SC1

>  <InChI Std. ID>
InChI=1S/C20H16Cl2N2O2S/c21-15-6-5-14(17(22)11-15)12-26-16-4-1-3-13(9-16)10-18-19(25)24-7-2-8-27-20(24)23-18/h1,3-6,9-11H,2,7-8,12H2/b18-10-

>  <InChI Key>
XHZPDJWLDJSJEG-ZDLGFXPLSA-N

