N-[4-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-2-(2-methylsulfanylethyl)-N'-oxidanyl-butanediamide

Systemtic Name: N-[4-methyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-2-(2-methylsulfanylethyl)-N'-oxidanyl-butanediamide Openeye Name: 4-(hydroxyamino)-N-[3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]-2-(2-methylsulfanylethyl)-4-oxo-butanamide CAS Name: N'-hydroxy-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-[2-(methylthio)ethyl]butanediamide IUPAC Name: N'-hydroxy-N-[4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-(2-methylsulfanylethyl)butanediamide Traditional Name: 4-(hydroxyamino)-4-keto-N-[3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]-2-[2-(methylthio)ethyl]butyramide Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CCSC)CC(=O)NO

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CCSC)CC(=O)NO

InChI

InChI=1S/C19H28N4O6S/c1-12(2)10-16(19(26)20-14-4-6-15(7-5-14)23(28)29)21-18(25)13(8-9-30-3)11-17(24)22-27/h4-7,12-13,16,27H,8-11H2,1-3H3,(H,20,26)(H,21,25)(H,22,24)