ethyl 1-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-isobutoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methylpropoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-isobutoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-4-25-19(24)15-8-10-22(11-9-15)20(27)21-18(23)16-6-5-7-17(12-16)26-13-14(2)3/h5-7,12,14-15H,4,8-11,13H2,1-3H3,(H,21,23,27)