N-[2-(4-methylphenyl)sulfanylethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: 4-morpholino-3-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-[2-(p-tolylthio)ethyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-15-2-5-17(6-3-15)28-13-8-21-20(24)16-4-7-18(19(14-16)23(25)26)22-9-11-27-12-10-22/h2-7,14H,8-13H2,1H3,(H,21,24)