N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H24N2O5S/c1-4-26-17-8-6-14(12-18(17)27-5-2)10-11-21-20(23)15-7-9-19(28-3)16(13-15)22(24)25/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)