ethyl 1-[(3-butoxyphenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

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