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

Systemtic Name: 3-methyl-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N,N-di(propan-2-yl)butanamide Openeye Name: N,N-diisopropyl-3-methyl-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: 3-methyl-2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]-N,N-di(propan-2-yl)butanamide IUPAC Name: 3-methyl-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanyl-N,N-di(propan-2-yl)butanamide Traditional Name: N,N-diisopropyl-2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]-3-methyl-butyramide Formula: C20H31N3O4S MolecularWeight: 409.54284

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-12(2)19(20(25)22(13(3)4)14(5)6)28-11-18(24)21-16-9-8-15(7)10-17(16)23(26)27/h8-10,12-14,19H,11H2,1-7H3,(H,21,24)