O-[3-hexyl-1-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-imidazolidin-1-ium-1-yl] N-hexylcarbamothioate

Systemtic Name: O-[3-hexyl-1-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-imidazolidin-1-ium-1-yl] N-hexylcarbamothioate Openeye Name: O-[3-hexyl-1-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-oxo-imidazolidin-1-ium-1-yl] N-hexylcarbamothioate CAS Name: N-hexylcarbamothioic acid O-[[3-hexyl-1-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-imidazolidin-1-iumyl]] ester IUPAC Name: O-[3-hexyl-1-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-oxoimidazolidin-1-ium-1-yl] N-hexylcarbamothioate Traditional Name: N-hexylthiocarbamic acid O-[3-hexyl-1-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-keto-imidazolidin-1-ium-1-yl] ester Formula: C24H44N5O2S2+ MolecularWeight: 498.76846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(S1)[N+]2(CN(CC2=O)CCCCCC)OC(=S)NCCCCCC

Isomeric SMILES

CCCCCCC1=NN=C(S1)[N+]2(CN(CC2=O)CCCCCC)OC(=S)NCCCCCC

InChI

InChI=1S/C24H43N5O2S2/c1-4-7-10-13-16-21-26-27-23(33-21)29(31-24(32)25-17-14-11-8-5-2)20-28(19-22(29)30)18-15-12-9-6-3/h4-20H2,1-3H3/p+1