S-[1-(dimethylcarbamoyl)-5-nitro-benzimidazol-2-yl] N,N-dimethylcarbamothioate

Systemtic Name: S-[1-(dimethylcarbamoyl)-5-nitro-benzimidazol-2-yl] N,N-dimethylcarbamothioate Openeye Name: S-[1-(dimethylcarbamoyl)-5-nitro-benzimidazol-2-yl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[[1-[dimethylamino(oxo)methyl]-5-nitro-2-benzimidazolyl]] ester IUPAC Name: S-[1-(dimethylcarbamoyl)-5-nitrobenzimidazol-2-yl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[1-(dimethylcarbamoyl)-5-nitro-benzimidazol-2-yl] ester Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC(=O)N(C)C

Isomeric SMILES

CN(C)C(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC(=O)N(C)C

InChI

InChI=1S/C13H15N5O4S/c1-15(2)12(19)17-10-6-5-8(18(21)22)7-9(10)14-11(17)23-13(20)16(3)4/h5-7H,1-4H3