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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(4-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(amylthio)-5-(4-chlorobenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2OS/c1-2-3-7-14-27-22-24-20(17-8-5-4-6-9-17)19(21(26)25-22)15-16-10-12-18(23)13-11-16/h4-6,8-13,19-20,22,24H,2-3,7,14-15H2,1H3,(H,25,26)