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

Systemtic Name: O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-ethylbenzenecarbothioate Openeye Name: O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-ethylbenzenecarbothioate CAS Name: 3-ethylbenzenecarbothioic acid O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 3-ethylbenzenecarbothioate Traditional Name: 3-ethylthiobenzoic acid O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=S)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1)C(=S)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C20H21N3O2S2/c1-3-14-7-6-8-15(11-14)19(26)25-18-12-22(2)13-23(18,24)20-21-16-9-4-5-10-17(16)27-20/h4-11,18H,3,12-13H2,1-2H3