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

Systemtic Name: N-[(3-nitrophenyl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(3-nitrophenyl)methyleneamino]acetamide CAS Name: N-[(3-nitrophenyl)methylideneamino]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[(3-nitrobenzylidene)amino]acetamide Formula: C23H20N5O3S+ MolecularWeight: 446.5016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O3S/c29-22(26-24-14-18-9-6-10-19(13-18)28(30)31)16-32-23-25-20-11-4-5-12-21(20)27(23)15-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,26,29)/p+1