[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-hexylthiophen-2-yl)sulfanylbutanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(4-hexylthiophen-2-yl)sulfanylbutanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-[(4-hexyl-2-thienyl)sulfanyl]butanoate CAS Name: 3-[(4-hexyl-2-thiophenyl)thio]butanoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-(4-hexylthiophen-2-yl)sulfanylbutanoate Traditional Name: 3-[(4-hexyl-2-thienyl)thio]butyric acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C24H38N4O3S3 MolecularWeight: 526.77852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CSC(=C1)SC(C)CC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(C)(C)C)[O-])C

Isomeric SMILES

CCCCCCC1=CSC(=C1)SC(C)CC(=O)OC2CN(C[N+]2(C3=NN=C(S3)C(C)(C)C)[O-])C

InChI

InChI=1S/C24H38N4O3S3/c1-7-8-9-10-11-18-13-21(32-15-18)33-17(2)12-20(29)31-19-14-27(6)16-28(19,30)23-26-25-22(34-23)24(3,4)5/h13,15,17,19H,7-12,14,16H2,1-6H3