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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2NC(C(C(=O)N2)CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

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