1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamothioyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-fluorophenyl)thiocarbamoyl]nipecotic acid Formula: C13H15FN2O2S MolecularWeight: 282.333803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C13H15FN2O2S/c14-10-3-5-11(6-4-10)15-13(19)16-7-1-2-9(8-16)12(17)18/h3-6,9H,1-2,7-8H2,(H,15,19)(H,17,18)