5-heptyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-heptyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-heptyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-heptyl-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-heptyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-heptyl-6-phenyl-hexahydropyrimidin-4-one Formula: C20H30N2OS MolecularWeight: 346.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2OS/c1-3-5-6-7-11-14-17-18(16-12-9-8-10-13-16)21-20(22-19(17)23)24-15-4-2/h4,8-10,12-13,17-18,20-21H,2-3,5-7,11,14-15H2,1H3,(H,22,23)