
 N-{2-[(3-methoxyphenyl)thio]-1-methylethyl}acetamide

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.9205   -0.4901    2.1217 C   0  0  0  0  0
    2.0230   -0.2966    0.8999 C   0  0  0  0  0
    2.6934   -0.7243   -0.4227 C   0  0  0  0  0
    3.1572   -2.5018   -0.4719 S   0  0  0  0  0
    3.8912   -2.5874   -2.0993 C   0  0  0  0  0
    4.9699   -1.7728   -2.4580 C   0  0  0  0  0
    5.5129   -1.8506   -3.7403 C   0  0  0  0  0
    4.9903   -2.7573   -4.6610 C   0  0  0  0  0
    3.9421   -3.6067   -4.3017 C   0  0  0  0  0
    3.3900   -3.5155   -3.0218 C   0  0  0  0  0
    3.5280   -4.4587   -5.2891 O   0  0  0  0  0
    2.8051   -5.6077   -4.8635 C   0  0  0  0  0
    0.7387   -0.9563    1.1150 N   0  0  0  0  0
   -0.4087   -0.5109    0.4965 C   0  0  0  0  0
   -0.4598    0.4908   -0.2081 O   0  0  0  0  0
   -1.6163   -1.3552    0.7977 C   0  0  0  0  0
    3.0886   -1.5481    2.3478 H   0  0  0  0  0
    3.8920   -0.0073    1.9751 H   0  0  0  0  0
    2.4541   -0.0460    3.0085 H   0  0  0  0  0
    1.8197    0.7791    0.8155 H   0  0  0  0  0
    3.5929   -0.1181   -0.5697 H   0  0  0  0  0
    2.0181   -0.5311   -1.2636 H   0  0  0  0  0
    5.4029   -1.0746   -1.7468 H   0  0  0  0  0
    6.3445   -1.2100   -4.0219 H   0  0  0  0  0
    5.4119   -2.8156   -5.6616 H   0  0  0  0  0
    2.5569   -4.1451   -2.7283 H   0  0  0  0  0
    2.6664   -6.2550   -5.7345 H   0  0  0  0  0
    1.8125   -5.3361   -4.4917 H   0  0  0  0  0
    3.3682   -6.1728   -4.1132 H   0  0  0  0  0
    0.7517   -1.9042    1.4722 H   0  0  0  0  0
   -1.4212   -2.3993    0.5387 H   0  0  0  0  0
   -2.4672   -1.0011    0.2087 H   0  0  0  0  0
   -1.8634   -1.2758    1.8602 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
N-{2-[(3-methoxyphenyl)thio]-1-methylethyl}acetamide

>  <PubChem CID>
49865376

>  <Formula>
C12H17NO2S

>  <Molecular Weight>
239.333000

>  <IUPAC Name>
N-[1-(3-methoxyphenyl)sulfanylpropan-2-yl]acetamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CSC1=CC=CC(=C1)OC)NC(=O)C

>  <Isomeric SMILES>
CC(CSC1=CC=CC(=C1)OC)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)

>  <InChI Key>
BTZZPTZDAHOEMB-UHFFFAOYSA-N

