1-(naphthalen-2-ylcarbamothioyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(naphthalen-2-ylcarbamothioyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-naphthylcarbamothioyl)piperidine-4-carboxylic acid CAS Name: 1-[(2-naphthalenylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(naphthalen-2-ylcarbamothioyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-naphthylthiocarbamoyl)isonipecotic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=S)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=S)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H18N2O2S/c20-16(21)13-7-9-19(10-8-13)17(22)18-15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2,(H,18,22)(H,20,21)