3,4,5-trimethoxy-N-[2-(4-methylphenyl)sulfanylethyl]-2-nitro-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-(4-methylphenyl)sulfanylethyl]-2-nitro-benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[2-[(4-methylphenyl)thio]ethyl]-2-nitrobenzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-(4-methylphenyl)sulfanylethyl]-2-nitrobenzamide Traditional Name: 3,4,5-trimethoxy-2-nitro-N-[2-(p-tolylthio)ethyl]benzamide Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C19H22N2O6S/c1-12-5-7-13(8-6-12)28-10-9-20-19(22)14-11-15(25-2)17(26-3)18(27-4)16(14)21(23)24/h5-8,11H,9-10H2,1-4H3,(H,20,22)