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

Systemtic Name: ethyl 1-[(4-tert-butylphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-tert-butylbenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-tert-butylbenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-tert-butylbenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H28N2O3S/c1-5-25-18(24)15-10-12-22(13-11-15)19(26)21-17(23)14-6-8-16(9-7-14)20(2,3)4/h6-9,15H,5,10-13H2,1-4H3,(H,21,23,26)