
 AC1LP5MH

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.7065   -2.5362   -1.4612 C   0  0  0  0  0
    0.7882   -2.5124   -1.7220 C   0  0  0  0  0
    1.4053   -1.2611   -1.3471 N   0  0  0  0  0
    2.6567   -0.8970   -1.7511 C   0  0  0  0  0
    3.4190   -1.4714   -2.5018 O   0  0  0  0  0
    2.9003    0.3625   -0.9918 C   0  0  0  0  0
    4.0255    1.0768   -1.1259 C   0  0  0  0  0
    4.3476    2.3050   -0.3829 C   0  0  0  0  0
    3.3807    3.2727   -0.0759 C   0  0  0  0  0
    3.7148    4.3940    0.6890 C   0  0  0  0  0
    5.0405    4.6076    1.0659 C   0  0  0  0  0
    6.0222    3.6812    0.7194 C   0  0  0  0  0
    5.6757    2.5330    0.0032 C   0  0  0  0  0
    2.8182    5.3756    1.0428 O   0  0  0  0  0
    1.5389    5.0352    1.4233 C   0  0  0  0  0
    1.1924    3.8586    2.0929 C   0  0  0  0  0
   -0.1376    3.6243    2.4514 C   0  0  0  0  0
   -1.1164    4.5787    2.1754 C   0  0  0  0  0
   -0.7673    5.7702    1.5418 C   0  0  0  0  0
    0.5584    5.9980    1.1691 C   0  0  0  0  0
    1.8282    0.6081   -0.1653 N   0  0  0  0  0
    1.0130   -0.3674   -0.4114 C   0  0  0  0  0
   -0.5156   -0.4986    0.3775 S   0  0  0  0  0
   -0.9953   -2.1951   -0.0102 C   0  0  0  0  0
   -1.2230   -1.8364   -2.1302 H   0  0  0  0  0
   -1.0948   -3.5363   -1.6857 H   0  0  0  0  0
    0.9962   -2.7052   -2.7809 H   0  0  0  0  0
    1.2886   -3.3044   -1.1512 H   0  0  0  0  0
    4.7969    0.7243   -1.8078 H   0  0  0  0  0
    2.3569    3.1450   -0.4181 H   0  0  0  0  0
    5.3069    5.4975    1.6299 H   0  0  0  0  0
    7.0551    3.8490    1.0127 H   0  0  0  0  0
    6.4534    1.8126   -0.2417 H   0  0  0  0  0
    1.9400    3.1088    2.3360 H   0  0  0  0  0
   -0.4072    2.6948    2.9464 H   0  0  0  0  0
   -2.1493    4.3950    2.4593 H   0  0  0  0  0
   -1.5254    6.5213    1.3377 H   0  0  0  0  0
    0.8295    6.9284    0.6775 H   0  0  0  0  0
   -0.4657   -2.8776    0.6631 H   0  0  0  0  0
   -2.0659   -2.3005    0.1917 H   0  0  0  0  0
  1 24  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3 22  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 21  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
M  END

>  <Chemical Name>
AC1LP5MH

>  <PubChem CID>
1281706

>  <Formula>
C19H16N2O2S

>  <Molecular Weight>
336.409000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)N=C2SC1

>  <Isomeric SMILES>
C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OC4=CC=CC=C4)/N=C2SC1

>  <InChI Std. ID>
InChI=1S/C19H16N2O2S/c22-18-17(20-19-21(18)10-5-11-24-19)13-14-6-4-9-16(12-14)23-15-7-2-1-3-8-15/h1-4,6-9,12-13H,5,10-11H2/b17-13-

>  <InChI Key>
AFDRRYWYTXYOJI-LGMDPLHJSA-N

