methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[[2-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyridin-3-ylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 4-[[2-(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)N2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCC2C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-24-18(23)14-7-9-16(10-8-14)21-19(25)22-12-3-2-6-17(22)15-5-4-11-20-13-15/h4-5,7-11,13,17H,2-3,6,12H2,1H3,(H,21,25)