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

Systemtic Name: 3-methyl-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-butanamide Openeye Name: 3-methyl-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-N-(2-pyridyl)butanamide CAS Name: 3-methyl-2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]-N-(2-pyridinyl)butanamide IUPAC Name: 3-methyl-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanyl-N-pyridin-2-ylbutanamide Traditional Name: 2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]-3-methyl-N-(2-pyridyl)butyramide Formula: C19H22N4O4S MolecularWeight: 402.46738

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=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-12(2)18(19(25)22-16-6-4-5-9-20-16)28-11-17(24)21-14-8-7-13(3)10-15(14)23(26)27/h4-10,12,18H,11H2,1-3H3,(H,21,24)(H,20,22,25)