O-[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-hexylbenzenecarbothioate

Systemtic Name: O-[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-hexylbenzenecarbothioate Openeye Name: O-[3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-hexylbenzenecarbothioate CAS Name: 2-hexylbenzenecarbothioic acid O-[3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: O-[3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 2-hexylbenzenecarbothioate Traditional Name: 2-hexylthiobenzoic acid O-[3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H26BrN3O2S2 MolecularWeight: 484.47334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=S)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=S)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C20H26BrN3O2S2/c1-3-4-5-6-9-15-10-7-8-11-16(15)19(27)26-18-13-23(2)14-24(18,25)20-22-12-17(21)28-20/h7-8,10-12,18H,3-6,9,13-14H2,1-2H3