KEGG   COMPOUND: C14432Help
Entry
C14432                      Compound                               

Name
Thiophanate-methyl;
1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene
Formula
C12H14N4O4S2
Exact mass
342.0456
Mol weight
342.394
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Carbamate fungicides
    C14432  Thiophanate-methyl
BRITE hierarchy
Other DBs
CAS: 23564-05-8
PubChem: 17395432
ChEBI: 35014
ChEMBL: CHEMBL487187
NIKKAJI: J3.471A
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    24.4990  -24.2923
            2   C8x C    24.4990  -25.6979
            3   C8x C    25.7162  -26.4006
            4   C8y C    26.9335  -25.6979
            5   C8y C    26.9335  -24.2923
            6   C8x C    25.7162  -23.5896
            7   N1b N    28.1695  -23.5785
            8   N1b N    28.1695  -26.4117
            9   C2c C    28.1692  -27.8061
            10  C2c C    28.1692  -22.1841
            11  S0  S    26.9400  -21.4746
            12  N1b N    29.3744  -21.4879
            13  C7a C    30.5691  -22.1775
            14  O7a O    31.7636  -21.4875
            15  C1a C    32.9587  -22.1772
            16  S0  S    26.9400  -28.5156
            17  N1b N    29.3744  -28.5023
            18  C7a C    30.5691  -27.8128
            19  O7a O    31.7636  -28.5028
            20  C1a C    32.9587  -27.8130
            21  O6a O    30.5694  -23.5893
            22  O6a O    30.5695  -26.4009
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     8   9 1
            10    7  10 1
            11   10  11 2
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    9  16 2
            17    9  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   13  21 2
            22   18  22 2

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