2-oxidanyl-4-[(2-pyridin-3-ylpiperidin-1-yl)carbothioylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[(2-pyridin-3-ylpiperidin-1-yl)carbothioylamino]benzoic acid Openeye Name: 2-hydroxy-4-[[2-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(2-pyridin-3-ylpiperidine-1-carbothioyl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-(3-pyridyl)piperidine-1-carbothioyl]amino]benzoic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C18H19N3O3S/c22-16-10-13(6-7-14(16)17(23)24)20-18(25)21-9-2-1-5-15(21)12-4-3-8-19-11-12/h3-4,6-8,10-11,15,22H,1-2,5,9H2,(H,20,25)(H,23,24)