
 METIAMIDE

 31 31  0  0  0  0  0  0  0  0999 V2000
    2.5829    6.7410    5.8998 C   0  0  0  0  0
    3.1493    6.7371    4.5327 C   0  0  0  0  0
    3.8849    5.7930    3.8370 C   0  0  0  0  0
    4.1823    6.2624    2.5721 N   0  0  0  0  0
    3.6378    7.4551    2.4995 C   0  0  0  0  0
    2.9998    7.7847    3.6585 N   0  0  0  0  0
    4.3582    4.4481    4.2772 C   0  0  0  0  0
    3.1286    3.1323    3.9806 S   0  0  0  0  0
    2.9240    3.2607    2.1632 C   0  0  0  0  0
    4.2155    3.1365    1.3509 C   0  0  0  0  0
    4.9528    1.9130    1.6293 N   0  0  0  0  0
    6.0698    1.4130    1.0794 C   0  0  0  0  0
    6.5458   -0.1282    1.5115 S   0  0  0  0  0
    6.8253    2.0873    0.1972 N   0  0  0  0  0
    6.8103    3.4794   -0.1885 C   0  0  0  0  0
    1.7083    6.0853    5.9508 H   0  0  0  0  0
    2.2739    7.7468    6.2022 H   0  0  0  0  0
    3.3225    6.3867    6.6246 H   0  0  0  0  0
    3.6725    8.1177    1.6453 H   0  0  0  0  0
    2.5092    8.6499    3.8371 H   0  0  0  0  0
    4.5626    4.4659    5.3532 H   0  0  0  0  0
    5.3028    4.1882    3.7899 H   0  0  0  0  0
    2.4085    4.1952    1.9219 H   0  0  0  0  0
    2.2464    2.4478    1.8779 H   0  0  0  0  0
    4.8734    3.9858    1.5341 H   0  0  0  0  0
    3.9643    3.1331    0.2848 H   0  0  0  0  0
    4.5252    1.2866    2.3044 H   0  0  0  0  0
    7.6378    1.5592   -0.0997 H   0  0  0  0  0
    5.8939    3.7026   -0.7374 H   0  0  0  0  0
    7.6681    3.6630   -0.8409 H   0  0  0  0  0
    6.8954    4.1075    0.7009 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
METIAMIDE

>  <PubChem CID>
1548992

>  <Formula>
C9H16N4S2

>  <Molecular Weight>
244.375000

>  <IUPAC Name>
1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thiourea

>  <XlogP>
0.500

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=CN1)CSCCNC(=S)NC

>  <Isomeric SMILES>
CC1=C(N=CN1)CSCCNC(=S)NC

>  <InChI Std. ID>
InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)

>  <InChI Key>
FPBPLBWLMYGIQR-UHFFFAOYSA-N

