N-(4-acetamidophenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-17(29)25-19-11-13-20(14-12-19)26-23(30)16-31-24-27-21-9-5-6-10-22(21)28(24)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H2,25,26,29,30)/p+1