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

Systemtic Name: 3,3-dimethyl-N-[4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[4-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C21H25N3O4S/c1-14(20(26)23-16-5-9-17(10-6-16)24(27)28)29-18-11-7-15(8-12-18)22-19(25)13-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,25)(H,23,26)