ethyl 1-[(3-cyanophenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3-cyanophenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-cyanophenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(3-cyanoanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-cyanophenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(3-cyanophenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H19N3O2S/c1-2-21-15(20)13-6-4-8-19(11-13)16(22)18-14-7-3-5-12(9-14)10-17/h3,5,7,9,13H,2,4,6,8,11H2,1H3,(H,18,22)