[3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(2-hexylphenyl)carbamate

Systemtic Name: [3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(2-hexylphenyl)carbamate Openeye Name: [3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-(2-hexylphenyl)carbamate CAS Name: N-(2-hexylphenyl)carbamic acid [3-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-(2-hexylphenyl)carbamate Traditional Name: N-(2-hexylphenyl)carbamic acid [3-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1NC(=O)OC2CN(C[N+]2(C3=NN=C(S3)SCC)[O-])C

Isomeric SMILES

CCCCCCC1=CC=CC=C1NC(=O)OC2CN(C[N+]2(C3=NN=C(S3)SCC)[O-])C

InChI

InChI=1S/C21H31N5O3S2/c1-4-6-7-8-11-16-12-9-10-13-17(16)22-20(27)29-18-14-25(3)15-26(18,28)19-23-24-21(31-19)30-5-2/h9-10,12-13,18H,4-8,11,14-15H2,1-3H3,(H,22,27)