ethyl 1-[(2,6-diethylphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2,6-diethylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,6-diethylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(2,6-diethylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,6-diethylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2,6-diethylphenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2S/c1-4-14-8-7-9-15(5-2)17(14)20-19(24)21-12-10-16(11-13-21)18(22)23-6-3/h7-9,16H,4-6,10-13H2,1-3H3,(H,20,24)