5-bromanyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]nicotinamide Formula: C14H10BrN5O2S MolecularWeight: 392.2305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=CC(=CN=C3)Br)NC(=O)N2

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=CC(=CN=C3)Br)NC(=O)N2

InChI

InChI=1S/C14H10BrN5O2S/c15-8-3-7(5-16-6-8)12(21)20-14(23)17-9-1-2-10-11(4-9)19-13(22)18-10/h1-6H,(H2,18,19,22)(H2,17,20,21,23)