2-(1H-benzimidazol-1-ium-2-ylsulfanyl)-N-(phenylmethyl)ethanamide bromide

Systemtic Name: 2-(1H-benzimidazol-1-ium-2-ylsulfanyl)-N-(phenylmethyl)ethanamide bromide Openeye Name: 2-(1H-benzimidazol-1-ium-2-ylsulfanyl)-N-benzyl-acetamide bromide CAS Name: 2-(1H-benzimidazol-1-ium-2-ylthio)-N-(phenylmethyl)acetamide bromide IUPAC Name: 2-(1H-benzimidazol-1-ium-2-ylsulfanyl)-N-benzylacetamide bromide Traditional Name: 2-(1H-benzimidazol-1-ium-2-ylthio)-N-benzyl-acetamide bromide Formula: C16H16BrN3OS MolecularWeight: 378.28674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3[NH2+]2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3[NH2+]2.[Br-]

InChI

InChI=1S/C16H15N3OS.BrH/c20-15(17-10-12-6-2-1-3-7-12)11-21-16-18-13-8-4-5-9-14(13)19-16;/h1-9H,10-11H2,(H,17,20)(H,18,19);1H