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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(C(=O)NC(=O)NC1=O)CCSC(=S)OC

Isomeric SMILES

CC(C)CCC1(C(=O)NC(=O)NC1=O)CCSC(=S)OC

InChI

InChI=1S/C13H20N2O4S2/c1-8(2)4-5-13(6-7-21-12(20)19-3)9(16)14-11(18)15-10(13)17/h8H,4-7H2,1-3H3,(H2,14,15,16,17,18)