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

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-fluoro-phenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-fluorophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17ClFN3O2S MolecularWeight: 345.820083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H17ClFN3O2S/c1-2-21-14(20)19-7-5-18(6-8-19)13(22)17-10-3-4-12(16)11(15)9-10/h3-4,9H,2,5-8H2,1H3,(H,17,22)