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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N3O2S2/c1-25-18(24)11-3-2-6-12-21-20(26)23-13-7-8-15(14-23)19-22-16-9-4-5-10-17(16)27-19/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,21,26)/t15-/m1/s1