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

Systemtic Name: 3-methyl-N-(4-methyl-2-nitro-phenyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: 3-methyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(4-methyl-2-nitro-phenyl)butanamide CAS Name: 3-methyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(4-methyl-2-nitrophenyl)butanamide IUPAC Name: 3-methyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-nitrophenyl)butanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-3-methyl-N-(4-methyl-2-nitro-phenyl)butyramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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