N-[4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: N-[4-[2-(2-methyl-5-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: N-[4-[[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: N-[4-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-5-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]butyramide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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