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

Systemtic Name: 5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Openeye Name: 5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 5-[2-(cyclopentylthio)ethyl]-2-[(2,4-dimethylphenyl)methylthio]-6-methyl-1,3-diazinan-4-one IUPAC Name: 5-(2-cyclopentylsulfanylethyl)-2-[(2,4-dimethylphenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 5-[2-(cyclopentylthio)ethyl]-2-[(2,4-dimethylbenzyl)thio]-6-methyl-hexahydropyrimidin-4-one Formula: C21H32N2OS2 MolecularWeight: 392.62158

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=C(C=C(C=C2)C)C)CCSC3CCCC3

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=C(C=C(C=C2)C)C)CCSC3CCCC3

InChI

InChI=1S/C21H32N2OS2/c1-14-8-9-17(15(2)12-14)13-26-21-22-16(3)19(20(24)23-21)10-11-25-18-6-4-5-7-18/h8-9,12,16,18-19,21-22H,4-7,10-11,13H2,1-3H3,(H,23,24)