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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one Openeye Name: 5-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6-phenyl-5-(phenylmethyl)-1,3-diazinan-4-one IUPAC Name: 5-benzyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-benzyl-2-[(2,5-dimethylbenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2NC(C(C(=O)N2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2NC(C(C(=O)N2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c1-18-13-14-19(2)22(15-18)17-30-26-27-24(21-11-7-4-8-12-21)23(25(29)28-26)16-20-9-5-3-6-10-20/h3-15,23-24,26-27H,16-17H2,1-2H3,(H,28,29)