(3-azanyl-3-oxidanylidene-propyl) N-(1-methylbenzimidazol-2-yl)carbamodithioate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) N-(1-methylbenzimidazol-2-yl)carbamodithioate Openeye Name: (3-amino-3-oxo-propyl) N-(1-methylbenzimidazol-2-yl)carbamodithioate CAS Name: N-(1-methyl-2-benzimidazolyl)carbamodithioic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) N-(1-methylbenzimidazol-2-yl)carbamodithioate Traditional Name: N-(1-methylbenzimidazol-2-yl)carbamodithioic acid (3-amino-3-keto-propyl) ester Formula: C12H14N4OS2 MolecularWeight: 294.39576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1NC(=S)SCCC(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1NC(=S)SCCC(=O)N

InChI

InChI=1S/C12H14N4OS2/c1-16-9-5-3-2-4-8(9)14-11(16)15-12(18)19-7-6-10(13)17/h2-5H,6-7H2,1H3,(H2,13,17)(H,14,15,18)