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

Systemtic Name: N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(2-methyl-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-4-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]valeramide Formula: C26H27N3O4S MolecularWeight: 477.57528

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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=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-3-4-10-24(30)27-20-11-14-22(15-12-20)34-25(19-8-6-5-7-9-19)26(31)28-23-16-13-21(29(32)33)17-18(23)2/h5-9,11-17,25H,3-4,10H2,1-2H3,(H,27,30)(H,28,31)