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

Systemtic Name: ethyl 1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-ethoxycarbonylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-carbethoxyphenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H24N2O4S/c1-3-23-16(21)13-5-7-15(8-6-13)19-18(25)20-11-9-14(10-12-20)17(22)24-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,25)