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

Systemtic Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(4-butylphenyl)carbamate Openeye Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-(4-butylphenyl)carbamate CAS Name: N-(4-butylphenyl)carbamic acid [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-(4-butylphenyl)carbamate Traditional Name: N-(4-butylphenyl)carbamic acid [3-(5-hexoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H35N5O4S MolecularWeight: 477.6201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)NC3=CC=C(C=C3)CCCC)C)[O-]

Isomeric SMILES

CCCCCCOC1=NN=C(S1)[N+]2(CN(CC2OC(=O)NC3=CC=C(C=C3)CCCC)C)[O-]

InChI

InChI=1S/C23H35N5O4S/c1-4-6-8-9-15-31-23-26-25-21(33-23)28(30)17-27(3)16-20(28)32-22(29)24-19-13-11-18(12-14-19)10-7-5-2/h11-14,20H,4-10,15-17H2,1-3H3,(H,24,29)