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

Systemtic Name: N-(3-acetamidophenyl)-2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetamide CAS Name: N-(3-acetamidophenyl)-2-(1H-benzimidazol-3-ium-2-ylthio)acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetamide Traditional Name: N-(3-acetamidophenyl)-2-(1H-benzimidazol-3-ium-2-ylthio)acetamide Formula: C17H17N4O2S+ MolecularWeight: 341.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H16N4O2S/c1-11(22)18-12-5-4-6-13(9-12)19-16(23)10-24-17-20-14-7-2-3-8-15(14)21-17/h2-9H,10H2,1H3,(H,18,22)(H,19,23)(H,20,21)/p+1