2-[(2-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-[(2-chlorobenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2OS/c1-2-3-5-13-18-20(16-10-6-4-7-11-16)24-22(25-21(18)26)27-15-17-12-8-9-14-19(17)23/h4,6-12,14,18,20,22,24H,2-3,5,13,15H2,1H3,(H,25,26)