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

Systemtic Name: 3,3-dimethyl-N-[3-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[3-[2-(2-methyl-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[3-[[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[3-[2-(2-methyl-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-4-nitro-anilino)-1-phenyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC(C)(C)C

InChI

InChI=1S/C27H29N3O4S/c1-18-15-21(30(33)34)13-14-23(18)29-26(32)25(19-9-6-5-7-10-19)35-22-12-8-11-20(16-22)28-24(31)17-27(2,3)4/h5-16,25H,17H2,1-4H3,(H,28,31)(H,29,32)