methyl 4-[[(3R)-3-pyridin-3-ylpiperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[(3R)-3-pyridin-3-ylpiperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[(3R)-3-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(3R)-3-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3R)-3-pyridin-3-ylpiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(3R)-3-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC[C@@H](C2)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-24-18(23)14-6-8-17(9-7-14)21-19(25)22-11-3-5-16(13-22)15-4-2-10-20-12-15/h2,4,6-10,12,16H,3,5,11,13H2,1H3,(H,21,25)/t16-/m0/s1