2-[(3-ethanoyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(3-ethanoyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(3-acetyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(3-acetyl-1H-benzimidazol-3-ium-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(3-acetyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(3-acetyl-1H-benzimidazol-3-ium-2-yl)thio]-N-phenyl-acetamide Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-12(21)20-15-10-6-5-9-14(15)19-17(20)23-11-16(22)18-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,22)/p+1