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

Systemtic Name: N-(4-ethoxy-2-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-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-ethoxy-2-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-(4-ethoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C24H23N4O4S+ MolecularWeight: 463.52882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S/c1-2-32-18-12-13-20(22(14-18)28(30)31)25-23(29)16-33-24-26-19-10-6-7-11-21(19)27(24)15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3,(H,25,29)/p+1