ethyl 1-[(2-butoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

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