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

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(2,4-dimethoxyphenyl)acetamide Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2)OC

InChI

InChI=1S/C17H17N3O3S/c1-22-11-7-8-14(15(9-11)23-2)18-16(21)10-24-17-19-12-5-3-4-6-13(12)20-17/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)/p+1