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

Systemtic Name: 3,3-dimethyl-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[3-[2-(4-nitroanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[3-[[2-(4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[3-[2-(4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)-1-phenyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-26(2,3)17-23(30)27-20-10-7-11-22(16-20)34-24(18-8-5-4-6-9-18)25(31)28-19-12-14-21(15-13-19)29(32)33/h4-16,24H,17H2,1-3H3,(H,27,30)(H,28,31)