5-(2-butylsulfanylethyl)-6-methyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one

Systemtic Name: 5-(2-butylsulfanylethyl)-6-methyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 2-benzylsulfanyl-5-(2-butylsulfanylethyl)-6-methyl-hexahydropyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-6-methyl-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 2-benzylsulfanyl-5-(2-butylsulfanylethyl)-6-methyl-1,3-diazinan-4-one Traditional Name: 2-(benzylthio)-5-[2-(butylthio)ethyl]-6-methyl-hexahydropyrimidin-4-one Formula: C18H28N2OS2 MolecularWeight: 352.55772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCSCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C18H28N2OS2/c1-3-4-11-22-12-10-16-14(2)19-18(20-17(16)21)23-13-15-8-6-5-7-9-15/h5-9,14,16,18-19H,3-4,10-13H2,1-2H3,(H,20,21)