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

Systemtic Name: 5-(2-butylsulfanylethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Openeye Name: 5-(2-butylsulfanylethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-hexahydropyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-2-[(4-chlorophenyl)methylthio]-6-methyl-1,3-diazinan-4-one IUPAC Name: 5-(2-butylsulfanylethyl)-2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one Traditional Name: 5-[2-(butylthio)ethyl]-2-[(4-chlorobenzyl)thio]-6-methyl-hexahydropyrimidin-4-one Formula: C18H27ClN2OS2 MolecularWeight: 387.00278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2OS2/c1-3-4-10-23-11-9-16-13(2)20-18(21-17(16)22)24-12-14-5-7-15(19)8-6-14/h5-8,13,16,18,20H,3-4,9-12H2,1-2H3,(H,21,22)