N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide

Systemtic Name: N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]pentanamide IUPAC Name: N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)-1-phenyl-ethyl]thio]phenyl]valeramide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O4S/c1-2-3-12-23(29)26-20-10-7-11-22(17-20)33-24(18-8-5-4-6-9-18)25(30)27-19-13-15-21(16-14-19)28(31)32/h4-11,13-17,24H,2-3,12H2,1H3,(H,26,29)(H,27,30)