2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetamide CAS Name: N-(4-acetylphenyl)-2-(1H-benzimidazol-3-ium-2-ylthio)acetamide IUPAC Name: N-(4-acetylphenyl)-2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetamide Traditional Name: N-(4-acetylphenyl)-2-(1H-benzimidazol-3-ium-2-ylthio)acetamide Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

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