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

Systemtic Name: 3-methyl-N-(4-methyl-2-nitro-phenyl)-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: 3-methyl-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-N-(4-methyl-2-nitro-phenyl)butanamide CAS Name: 3-methyl-2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]-N-(4-methyl-2-nitrophenyl)butanamide IUPAC Name: 3-methyl-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methyl-2-nitrophenyl)butanamide Traditional Name: 2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]-3-methyl-N-(4-methyl-2-nitro-phenyl)butyramide Formula: C21H24N4O6S MolecularWeight: 460.50346

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-12(2)20(21(27)23-16-8-6-14(4)10-18(16)25(30)31)32-11-19(26)22-15-7-5-13(3)9-17(15)24(28)29/h5-10,12,20H,11H2,1-4H3,(H,22,26)(H,23,27)