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

Systemtic Name: 5-pentyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-pentyl-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-pentyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-amyl-6-phenyl-hexahydropyrimidin-4-one Formula: C18H26N2OS MolecularWeight: 318.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2OS/c1-3-5-7-12-15-16(14-10-8-6-9-11-14)19-18(20-17(15)21)22-13-4-2/h4,6,8-11,15-16,18-19H,2-3,5,7,12-13H2,1H3,(H,20,21)