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

Systemtic Name: N-(4-dimethylaminophenyl)-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-dimethylaminophenyl)acetamide CAS Name: N-(4-dimethylaminophenyl)-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-dimethylaminophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4OS/c1-27(2)20-14-12-19(13-15-20)25-23(29)17-30-24-26-21-10-6-7-11-22(21)28(24)16-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,29)/p+1