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

Systemtic Name: O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-methylbenzenecarbothioate Openeye Name: O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic 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-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid O-[3-(1,3-benzothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=S)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

Isomeric SMILES

CC1=CC=CC(=C1)C(=S)OC2CN(C[N+]2(C3=NC4=CC=CC=C4S3)[O-])C

InChI

InChI=1S/C19H19N3O2S2/c1-13-6-5-7-14(10-13)18(25)24-17-11-21(2)12-22(17,23)19-20-15-8-3-4-9-16(15)26-19/h3-10,17H,11-12H2,1-2H3