N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-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-chloro-2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-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-chloro-2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)acetamide Formula: C24H23ClN3O2S+ MolecularWeight: 452.97632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O2S/c1-16-12-20(22(30-2)13-18(16)25)26-23(29)15-31-24-27-19-10-6-7-11-21(19)28(24)14-17-8-4-3-5-9-17/h3-13H,14-15H2,1-2H3,(H,26,29)/p+1