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

Systemtic Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-(3-methylbutyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-isopentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-ethoxyphenyl)methylthio]-5-(3-methylbutyl)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-ethoxyphenyl)methylsulfanyl]-5-(3-methylbutyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(4-ethoxybenzyl)thio]-5-isoamyl-6-phenyl-hexahydropyrimidin-4-one Formula: C24H32N2O2S MolecularWeight: 412.58808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2NC(C(C(=O)N2)CCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2NC(C(C(=O)N2)CCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2S/c1-4-28-20-13-11-18(12-14-20)16-29-24-25-22(19-8-6-5-7-9-19)21(23(27)26-24)15-10-17(2)3/h5-9,11-14,17,21-22,24-25H,4,10,15-16H2,1-3H3,(H,26,27)