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

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-ethylphenyl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-ethylphenyl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-ethylphenyl)acetamide Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3OS/c1-2-12-7-9-13(10-8-12)18-16(21)11-22-17-19-14-5-3-4-6-15(14)20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)/p+1