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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-phenyl-5-propyl-1,3-diazinan-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-phenyl-5-propyl-hexahydropyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-6-phenyl-5-propyl-1,3-diazinan-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-6-phenyl-5-propyl-1,3-diazinan-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-6-phenyl-5-propyl-hexahydropyrimidin-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(NC1=O)SCC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1C(NC(NC1=O)SCC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-4-8-19-20(17-9-6-5-7-10-17)23-22(24-21(19)25)26-14-18-12-11-15(2)13-16(18)3/h5-7,9-13,19-20,22-23H,4,8,14H2,1-3H3,(H,24,25)