5-[(4-ethoxyphenyl)methyl]-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-[(4-ethoxyphenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-(4-ethoxybenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC=C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2C(NC(NC2=O)SCC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-3-14-27-22-23-20(17-8-6-5-7-9-17)19(21(25)24-22)15-16-10-12-18(13-11-16)26-4-2/h3,5-13,19-20,22-23H,1,4,14-15H2,2H3,(H,24,25)