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

Systemtic Name: ethyl 1-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(2-ethoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[3-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-ethoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(2-ethoxyethoxy)benzoyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C20H28N2O5S/c1-3-25-12-13-27-17-7-5-6-16(14-17)18(23)21-20(28)22-10-8-15(9-11-22)19(24)26-4-2/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,21,23,28)