1-(naphthalen-2-ylcarbamothioyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(naphthalen-2-ylcarbamothioyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-naphthylcarbamothioyl)piperidine-3-carboxylic acid CAS Name: 1-[(2-naphthalenylamino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(naphthalen-2-ylcarbamothioyl)piperidine-3-carboxylic acid Traditional Name: 1-(2-naphthylthiocarbamoyl)nipecotic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

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