2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(m-tolyl)acetamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C18H19N3O2S/c1-3-23-14-7-8-15-16(10-14)21-18(20-15)24-11-17(22)19-13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3,(H,19,22)(H,20,21)/p+1