N-[3-[2-(4-methylphenyl)sulfanylethylcarbamoyl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-[2-(4-methylphenyl)sulfanylethylcarbamoyl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-[2-(p-tolylsulfanyl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-[[2-[(4-methylphenyl)thio]ethylamino]-oxomethyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[2-(4-methylphenyl)sulfanylethylcarbamoyl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-[2-(p-tolylthio)ethylcarbamoyl]phenyl]nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-16-7-9-20(10-8-16)28-13-12-24-21(26)17-4-2-6-19(14-17)25-22(27)18-5-3-11-23-15-18/h2-11,14-15H,12-13H2,1H3,(H,24,26)(H,25,27)