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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(4-chlorophenyl)methyl]-2-(2-methylallylsulfanyl)-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-2-(2-methylprop-2-enylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(4-chlorobenzyl)-2-(2-methylallylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2OS/c1-14(2)13-26-21-23-19(16-6-4-3-5-7-16)18(20(25)24-21)12-15-8-10-17(22)11-9-15/h3-11,18-19,21,23H,1,12-13H2,2H3,(H,24,25)