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

Systemtic Name: 3,3-dimethyl-N-[3-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[3-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[3-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[3-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-20(2,3)12-18(24)22-15-5-4-6-17(11-15)28-13-19(25)21-14-7-9-16(10-8-14)23(26)27/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,24)