2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-chlorophenyl)propanamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-chlorophenyl)propionamide Formula: C16H15ClN3OS+ MolecularWeight: 332.8278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C16H14ClN3OS/c1-10(15(21)18-12-8-6-11(17)7-9-12)22-16-19-13-4-2-3-5-14(13)20-16/h2-10H,1H3,(H,18,21)(H,19,20)/p+1