ethyl 4-[[3,5-bis(fluoranyl)phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3,5-bis(fluoranyl)phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3,5-difluorophenyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[(3,5-difluoroanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-difluorophenyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3,5-difluorophenyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H17F2N3O2S MolecularWeight: 329.365486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2N3O2S/c1-2-21-14(20)19-5-3-18(4-6-19)13(22)17-12-8-10(15)7-11(16)9-12/h7-9H,2-6H2,1H3,(H,17,22)