O-ethyl 2-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethylsulfanylmethanethioate

Systemtic Name: O-ethyl 2-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethylsulfanylmethanethioate Openeye Name: O-ethyl 2-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethylsulfanylmethanethioate CAS Name: [2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylthio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylsulfanylmethanethioate Traditional Name: [2-(5-butyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethylthio]methanethioic acid O-ethyl ester Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=O)NC1=O)CCSC(=S)OCC

Isomeric SMILES

CCCCC1(C(=O)NC(=O)NC1=O)CCSC(=S)OCC

InChI

InChI=1S/C13H20N2O4S2/c1-3-5-6-13(7-8-21-12(20)19-4-2)9(16)14-11(18)15-10(13)17/h3-8H2,1-2H3,(H2,14,15,16,17,18)