N-(2,4-dimethyl-6-nitro-phenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-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-(2,4-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2,4-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3S/c1-16-12-17(2)23(21(13-16)28(30)31)26-22(29)15-32-24-25-19-10-6-7-11-20(19)27(24)14-18-8-4-3-5-9-18/h3-13H,14-15H2,1-2H3,(H,26,29)/p+1