16 16  0  0  0  0  0  0  0  0999 V2000
   21.4798  -19.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -20.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2917  -20.7314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7448  -19.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6250  -18.5665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.9424  -18.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1549  -19.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3673  -18.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5797  -19.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1698  -18.9240    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.8175  -18.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5837  -17.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7676  -20.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7522  -19.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9424  -17.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1549  -20.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  1  5  1  0     0  0
  4  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  1 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
 10 13  2  0     0  0
 11 14  1  0     0  0
  6 15  1  0     0  0
  7 16  2  0     0  0
M  END
> <ID>
CHEBI:82214

> <NAME>
Ethidimuron

> <STAR>
2

> <FORMULA>
C7H12N4O3S2

> <MASS>
264.32500

> <MONOISOTOPIC_MASS>
264.03508

> <CHARGE>
0

> <SMILES>
CCS(=O)(=O)c1nnc(s1)N(C)C(=O)NC

> <INCHI>
InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)

> <INCHIKEY>
KCOCSOWTADCKOL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
30043-49-3

> <KEGG_COMPOUND_ACCESSION>
C19092

$$$$