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

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-phenyl-acetamide Formula: C17H18N3O2S+ MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-2-22-13-8-9-14-15(10-13)20-17(19-14)23-11-16(21)18-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)/p+1