
 N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.6772   -1.1525    1.5321 C   0  0  0  0  0
    2.9445   -1.5232    0.8069 C   0  0  0  0  0
    3.9112   -0.5750    0.4229 C   0  0  0  0  0
    5.0768   -1.0170   -0.2232 C   0  0  0  0  0
    5.3119   -2.3768   -0.4936 C   0  0  0  0  0
    4.3626   -3.3067   -0.0639 C   0  0  0  0  0
    3.1938   -2.8883    0.5771 C   0  0  0  0  0
    6.5133   -2.8473   -1.2097 C   0  0  0  0  0
    7.0295   -4.0539   -1.0756 N   0  0  0  0  0
    8.1310   -4.2021   -1.9031 C   0  0  0  0  0
    8.9411   -5.3515   -2.0068 C   0  0  0  0  0
   10.0208   -5.3647   -2.8976 C   0  0  0  0  0
   10.3010   -4.2517   -3.6822 C   0  0  0  0  0
    9.5152   -3.0993   -3.5960 C   0  0  0  0  0
    8.4351   -3.0978   -2.6975 C   0  0  0  0  0
    7.3032   -1.8499   -2.3727 S   0  0  0  0  0
    3.6774    0.8004    0.6688 N   0  0  0  0  0
    4.5935    1.8413    0.5731 C   0  0  0  0  0
    5.7979    1.7308    0.3627 O   0  0  0  0  0
    3.9809    3.2072    0.8638 C   0  0  0  0  0
    2.9029    3.4603   -0.0305 O   0  0  0  0  0
    2.4008    4.7344   -0.0193 C   0  0  0  0  0
    2.6424    5.6962    0.9645 C   0  0  0  0  0
    2.0498    6.9593    0.8740 C   0  0  0  0  0
    1.2138    7.2672   -0.1972 C   0  0  0  0  0
    0.9708    6.3129   -1.1824 C   0  0  0  0  0
    1.5610    5.0503   -1.0908 C   0  0  0  0  0
    1.1585   -0.3327    1.0264 H   0  0  0  0  0
    1.9068   -0.8642    2.5628 H   0  0  0  0  0
    0.9745   -1.9929    1.5649 H   0  0  0  0  0
    5.8205   -0.2955   -0.5435 H   0  0  0  0  0
    4.5237   -4.3701   -0.2348 H   0  0  0  0  0
    2.4769   -3.6427    0.8954 H   0  0  0  0  0
    8.7192   -6.2184   -1.3930 H   0  0  0  0  0
   10.6426   -6.2536   -2.9745 H   0  0  0  0  0
   11.1422   -4.2744   -4.3725 H   0  0  0  0  0
    9.7328   -2.2287   -4.2077 H   0  0  0  0  0
    2.7482    1.0637    0.9704 H   0  0  0  0  0
    4.7737    3.9549    0.7393 H   0  0  0  0  0
    3.6255    3.2007    1.9006 H   0  0  0  0  0
    3.2804    5.4977    1.8189 H   0  0  0  0  0
    2.2401    7.7033    1.6438 H   0  0  0  0  0
    0.7529    8.2496   -0.2637 H   0  0  0  0  0
    0.3226    6.5502   -2.0219 H   0  0  0  0  0
    1.3705    4.3121   -1.8654 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  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 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 41  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 27  2  0  0  0
 26 44  1  0  0  0
 27 45  1  0  0  0
M  END

>  <Chemical Name>
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

>  <PubChem CID>
1366812

>  <Formula>
C22H18N2O2S

>  <Molecular Weight>
374.458000

>  <IUPAC Name>
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H18N2O2S/c1-15-11-12-16(22-24-18-9-5-6-10-20(18)27-22)13-19(15)23-21(25)14-26-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,25)

>  <InChI Key>
AGWXVVDQTWPGEA-UHFFFAOYSA-N

