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

Systemtic Name: N-(3-methyl-4-oxidanyl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-hydroxy-3-methyl-phenyl)acetamide CAS Name: N-(4-hydroxy-3-methylphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-hydroxy-3-methylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-hydroxy-3-methyl-phenyl)acetamide Formula: C23H22N3O2S+ MolecularWeight: 404.50468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H21N3O2S/c1-16-13-18(11-12-21(16)27)24-22(28)15-29-23-25-19-9-5-6-10-20(19)26(23)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H2,24,27,28)/p+1