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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2,3-dimethylphenyl)acetamide Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3OS/c1-17-9-8-13-20(18(17)2)25-23(28)16-29-24-26-21-12-6-7-14-22(21)27(24)15-19-10-4-3-5-11-19/h3-14H,15-16H2,1-2H3,(H,25,28)/p+1