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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

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