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

Systemtic Name: N-(2-methoxy-5-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-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-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-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C23H21N4O4S+ MolecularWeight: 449.50224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O4S/c1-31-21-12-11-17(27(29)30)13-19(21)24-22(28)15-32-23-25-18-9-5-6-10-20(18)26(23)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,24,28)/p+1