O-[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-methylcarbamothioate

Systemtic Name: O-[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-methylcarbamothioate Openeye Name: O-[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl]] ester IUPAC Name: O-[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C12H21N5O2S2 MolecularWeight: 331.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC)C)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC)C)[O-]

InChI

InChI=1S/C12H21N5O2S2/c1-12(2,3)9-14-15-10(21-9)17(18)7-16(5)6-8(17)19-11(20)13-4/h8H,6-7H2,1-5H3,(H,13,20)