
 3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide

 40 41  0  0  0  0  0  0  0  0999 V2000
   -0.2071    3.4210   -1.5409 C   0  0  0  0  0
    1.0801    2.6392   -1.7333 C   0  0  0  0  0
    1.2454    2.4019   -3.1312 O   0  0  0  0  0
    2.3916    1.7715   -3.5284 C   0  0  0  0  0
    2.4906    1.5541   -4.9045 C   0  0  0  0  0
    3.6110    0.9254   -5.4500 C   0  0  0  0  0
    4.6544    0.5155   -4.6201 C   0  0  0  0  0
    4.5719    0.7421   -3.2411 C   0  0  0  0  0
    3.4305    1.3553   -2.6974 C   0  0  0  0  0
    5.6566    0.3552   -2.2983 C   0  0  0  0  0
    5.3831    0.0804   -1.1337 O   0  0  0  0  0
    6.9514    0.3461   -2.8019 N   0  0  0  0  0
    8.1487    0.2197   -2.1085 C   0  0  0  0  0
    9.5326    0.3014   -3.0402 S   0  0  0  0  0
    8.0084    0.0423   -0.7536 N   0  0  0  0  0
    8.9078    0.1031    0.3324 C   0  0  0  0  0
   10.2146    0.5815    0.2719 C   0  0  0  0  0
   10.9993    0.6555    1.4281 C   0  0  0  0  0
   10.4860    0.2498    2.6579 C   0  0  0  0  0
    9.1826   -0.2425    2.7431 C   0  0  0  0  0
    8.3992   -0.2951    1.5802 C   0  0  0  0  0
    8.6095   -0.6439    4.0696 C   0  0  0  0  0
   -0.3957    3.6074   -0.4800 H   0  0  0  0  0
   -1.0583    2.8769   -1.9630 H   0  0  0  0  0
   -0.1527    4.3822   -2.0630 H   0  0  0  0  0
    1.0101    1.6860   -1.1965 H   0  0  0  0  0
    1.9140    3.2327   -1.3409 H   0  0  0  0  0
    1.6809    1.8737   -5.5573 H   0  0  0  0  0
    3.6635    0.7531   -6.5225 H   0  0  0  0  0
    5.5005    0.0032   -5.0683 H   0  0  0  0  0
    3.3857    1.5052   -1.6225 H   0  0  0  0  0
    7.0961    0.5787   -3.7737 H   0  0  0  0  0
    7.0457   -0.1662   -0.4818 H   0  0  0  0  0
   10.6560    0.9471   -0.6457 H   0  0  0  0  0
   12.0117    1.0468    1.3658 H   0  0  0  0  0
   11.1065    0.3269    3.5475 H   0  0  0  0  0
    7.3749   -0.6567    1.6550 H   0  0  0  0  0
    7.7905   -1.3600    3.9452 H   0  0  0  0  0
    8.2285    0.2374    4.5949 H   0  0  0  0  0
    9.3716   -1.1269    4.6901 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  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 30  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 31  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
M  END

>  <Chemical Name>
3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide

>  <PubChem CID>
883436

>  <Formula>
C17H18N2O2S

>  <Molecular Weight>
314.403000

>  <IUPAC Name>
3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C

>  <InChI Std. ID>
InChI=1S/C17H18N2O2S/c1-3-21-15-9-5-7-13(11-15)16(20)19-17(22)18-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,18,19,20,22)

>  <InChI Key>
HCAUFUQQPBGKTA-UHFFFAOYSA-N

