2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-p-phenetyl-acetamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OCC

InChI

InChI=1S/C19H21N3O3S/c1-3-24-14-7-5-13(6-8-14)20-18(23)12-26-19-21-16-10-9-15(25-4-2)11-17(16)22-19/h5-11H,3-4,12H2,1-2H3,(H,20,23)(H,21,22)/p+1