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

Systemtic Name: N-[4-(4-nitrophenyl)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-(4-nitrophenyl)phenyl]acetamide CAS Name: N-[4-(4-nitrophenyl)phenyl]-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-(4-nitrophenyl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-nitrophenyl)phenyl]acetamide Formula: C28H23N4O3S+ MolecularWeight: 495.57222

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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)NC4=CC=C(C=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H22N4O3S/c33-27(29-23-14-10-21(11-15-23)22-12-16-24(17-13-22)32(34)35)19-36-28-30-25-8-4-5-9-26(25)31(28)18-20-6-2-1-3-7-20/h1-17H,18-19H2,(H,29,33)/p+1