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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2OS/c1-15(2)8-13-19-20(17-6-4-3-5-7-17)24-22(25-21(19)26)27-14-16-9-11-18(23)12-10-16/h3-7,9-12,15,19-20,22,24H,8,13-14H2,1-2H3,(H,25,26)