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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5-(2,5-dimethylbenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C26H27ClN2OS MolecularWeight: 451.02338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2OS/c1-17-8-9-18(2)21(14-17)15-23-24(20-6-4-3-5-7-20)28-26(29-25(23)30)31-16-19-10-12-22(27)13-11-19/h3-14,23-24,26,28H,15-16H2,1-2H3,(H,29,30)