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

Systemtic Name: N-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[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=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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