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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-hexyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-hexyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-5-hexyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-hexyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-hexyl-6-phenyl-hexahydropyrimidin-4-one Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H29ClN2OS/c1-2-3-4-8-14-20-21(18-11-6-5-7-12-18)25-23(26-22(20)27)28-16-17-10-9-13-19(24)15-17/h5-7,9-13,15,20-21,23,25H,2-4,8,14,16H2,1H3,(H,26,27)