2-[5-(3-methylbutyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethylsulfanylmethanethioic S-acid

Systemtic Name: 2-[5-(3-methylbutyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethylsulfanylmethanethioic S-acid Openeye Name: 2-(5-isopentyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethylsulfanylmethanethioic S-acid CAS Name: [2-[5-(3-methylbutyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethylthio]methanethioic S-acid IUPAC Name: 2-[5-(3-methylbutyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethylsulfanylmethanethioic S-acid Traditional Name: [2-(5-isoamyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethylthio]thioformic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S2/c1-7(2)3-4-12(5-6-20-11(18)19)8(15)13-10(17)14-9(12)16/h7H,3-6H2,1-2H3,(H,18,19)(H2,13,14,15,16,17)