[1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-hexylcarbamate

Systemtic Name: [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-hexylcarbamate Openeye Name: [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] N-hexylcarbamate CAS Name: N-hexylcarbamic acid [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] N-hexylcarbamate Traditional Name: N-hexylcarbamic acid [1-hexyl-3-(5-hexyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C24H45N5O3S MolecularWeight: 483.7108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)NCCCCCC)CCCCCC)[O-]

Isomeric SMILES

CCCCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=O)NCCCCCC)CCCCCC)[O-]

InChI

InChI=1S/C24H45N5O3S/c1-4-7-10-13-16-21-26-27-23(33-21)29(31)20-28(18-15-12-9-6-3)19-22(29)32-24(30)25-17-14-11-8-5-2/h22H,4-20H2,1-3H3,(H,25,30)