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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1NC(C(C(=O)N1)CC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCSC1NC(C(C(=O)N1)CC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

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