ethyl 1-[(2-chlorophenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-chlorophenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(2-chlorophenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(2-chloroanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chlorophenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(2-chlorophenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C15H19ClN2O2S MolecularWeight: 326.84156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C15H19ClN2O2S/c1-2-20-14(19)11-6-5-9-18(10-11)15(21)17-13-8-4-3-7-12(13)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,21)