3-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-nitrophenyl)butanamide

Systemtic Name: 3-methyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2-nitrophenyl)butanamide Openeye Name: 3-methyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-nitrophenyl)butanamide CAS Name: 3-methyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(2-nitrophenyl)butanamide IUPAC Name: 3-methyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-nitrophenyl)butanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-3-methyl-N-(2-nitrophenyl)butyramide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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