1-[2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-6-(p-tolyl)pyrimidin-4-yl]piperidine-4-carboxamide CAS Name: 1-[2-[(4-chlorophenyl)methylthio]-6-(4-methylphenyl)-4-pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-chlorobenzyl)thio]-6-(p-tolyl)pyrimidin-4-yl]isonipecotamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)Cl)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)Cl)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H25ClN4OS/c1-16-2-6-18(7-3-16)21-14-22(29-12-10-19(11-13-29)23(26)30)28-24(27-21)31-15-17-4-8-20(25)9-5-17/h2-9,14,19H,10-13,15H2,1H3,(H2,26,30)