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

Systemtic Name: ethyl 4-[(2-pyridin-3-ylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-pyridin-3-ylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 4-[[2-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-2-25-19(24)15-8-10-17(11-9-15)22-20(26)23-13-4-3-7-18(23)16-6-5-12-21-14-16/h5-6,8-12,14,18H,2-4,7,13H2,1H3,(H,22,26)