ethyl 1-[(4-tert-butylphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-tert-butylphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-tert-butylphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-tert-butylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-tert-butylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-tert-butylphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2S/c1-5-23-17(22)14-7-6-12-21(13-14)18(24)20-16-10-8-15(9-11-16)19(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3,(H,20,24)