ethyl 1-[(3-butan-2-yloxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-butan-2-yloxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-sec-butoxybenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-butan-2-yloxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-sec-butoxybenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C20H28N2O4S/c1-4-14(3)26-17-8-6-7-16(13-17)18(23)21-20(27)22-11-9-15(10-12-22)19(24)25-5-2/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,21,23,27)