ethyl 1-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-chloro-3-fluoro-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-chloro-3-fluoroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chloro-3-fluorophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-chloro-3-fluoro-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C15H18ClFN2O2S MolecularWeight: 344.832023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClFN2O2S/c1-2-21-14(20)10-5-7-19(8-6-10)15(22)18-11-3-4-12(16)13(17)9-11/h3-4,9-10H,2,5-8H2,1H3,(H,18,22)