methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H27N3O2S2 MolecularWeight: 405.57728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N3O2S2/c1-25-18(24)12-3-2-7-13-21-20(26)23-14-8-6-10-16(23)19-22-15-9-4-5-11-17(15)27-19/h4-5,9,11,16H,2-3,6-8,10,12-14H2,1H3,(H,21,26)/t16-/m1/s1