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

Systemtic Name: [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(3-hexoxyphenyl)carbamate Openeye Name: [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-(3-hexoxyphenyl)carbamate CAS Name: N-(3-hexoxyphenyl)carbamic acid [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-(3-hexoxyphenyl)carbamate Traditional Name: N-(3-hexoxyphenyl)carbamic acid [3-(5-hexylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C25H39N5O5S2 MolecularWeight: 553.73766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC2CN(C[N+]2(C3=NN=C(S3)S(=O)CCCCCC)[O-])C

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC2CN(C[N+]2(C3=NN=C(S3)S(=O)CCCCCC)[O-])C

InChI

InChI=1S/C25H39N5O5S2/c1-4-6-8-10-15-34-21-14-12-13-20(17-21)26-24(31)35-22-18-29(3)19-30(22,32)23-27-28-25(36-23)37(33)16-11-9-7-5-2/h12-14,17,22H,4-11,15-16,18-19H2,1-3H3,(H,26,31)