3,3-dimethyl-N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]butanamide Openeye Name: 3,3-dimethyl-N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: 3,3-dimethyl-N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]phenyl]butanamide IUPAC Name: 3,3-dimethyl-N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

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