ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethoxyanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-(p-phenetylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H24N2O3S/c1-3-21-15-7-5-14(6-8-15)18-17(23)19-11-9-13(10-12-19)16(20)22-4-2/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,23)