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

Systemtic Name: O-[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-ethylbenzenecarbothioate Openeye Name: O-[3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-ethylbenzenecarbothioate CAS Name: 3-ethylbenzenecarbothioic 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] 3-ethylbenzenecarbothioate Traditional Name: 3-ethylthiobenzoic acid O-[3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H18BrN3O2S2 MolecularWeight: 428.36702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=S)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1)C(=S)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C

InChI

InChI=1S/C16H18BrN3O2S2/c1-3-11-5-4-6-12(7-11)15(23)22-14-9-19(2)10-20(14,21)16-18-8-13(17)24-16/h4-8,14H,3,9-10H2,1-2H3