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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-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-(5-chloro-2,4-dimethoxy-phenyl)acetamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide Formula: C24H23ClN3O3S+ MolecularWeight: 468.97572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C24H22ClN3O3S/c1-30-21-13-22(31-2)19(12-17(21)25)26-23(29)15-32-24-27-18-10-6-7-11-20(18)28(24)14-16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3,(H,26,29)/p+1