N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-3-nitro-benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O4S/c1-12(2)7-8-28-18-6-5-15(10-17(18)23(26)27)19(24)21-11-16-13(3)9-14(4)22-20(16)25/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,21,24)(H,22,25)