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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-5-[(4-ethoxyphenyl)methyl]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(4-ethoxyphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-5-(4-ethoxybenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C26H27ClN2O2S MolecularWeight: 467.02278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O2S/c1-2-31-21-14-12-18(13-15-21)16-22-24(19-8-4-3-5-9-19)28-26(29-25(22)30)32-17-20-10-6-7-11-23(20)27/h3-15,22,24,26,28H,2,16-17H2,1H3,(H,29,30)