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

Systemtic Name: 3-[(2,4-dimethylphenyl)methyl]-6-methyl-2-phenacylsulfanyl-5-(phenylmethyl)-1,3-diazinan-4-one Openeye Name: 5-benzyl-3-[(2,4-dimethylphenyl)methyl]-6-methyl-2-phenacylsulfanyl-hexahydropyrimidin-4-one CAS Name: 3-[(2,4-dimethylphenyl)methyl]-6-methyl-2-(phenacylthio)-5-(phenylmethyl)-1,3-diazinan-4-one IUPAC Name: 5-benzyl-3-[(2,4-dimethylphenyl)methyl]-6-methyl-2-phenacylsulfanyl-1,3-diazinan-4-one Traditional Name: 5-benzyl-3-(2,4-dimethylbenzyl)-6-methyl-2-(phenacylthio)hexahydropyrimidin-4-one Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C(N1)SCC(=O)C2=CC=CC=C2)CC3=C(C=C(C=C3)C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1C(C(=O)N(C(N1)SCC(=O)C2=CC=CC=C2)CC3=C(C=C(C=C3)C)C)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O2S/c1-20-14-15-25(21(2)16-20)18-31-28(33)26(17-23-10-6-4-7-11-23)22(3)30-29(31)34-19-27(32)24-12-8-5-9-13-24/h4-16,22,26,29-30H,17-19H2,1-3H3