ethyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-ethylphenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H24N2O2S/c1-3-13-5-7-15(8-6-13)18-17(22)19-11-9-14(10-12-19)16(20)21-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,18,22)