N-(2,5-diethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-diethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-diethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2,5-diethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,5-diethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2,5-diethoxyphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C20H23N3O3S/c1-4-25-14-10-11-18(26-5-2)16(12-14)21-19(24)13-27-20-22-15-8-6-7-9-17(15)23(20)3/h6-12H,4-5,13H2,1-3H3,(H,21,24)/p+1