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

Systemtic Name: ethyl 4-[[3,4-bis(fluoranyl)phenyl]carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3,4-difluorobenzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(3,4-difluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-difluorobenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(3,4-difluorobenzoyl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H17F2N3O3S MolecularWeight: 357.375586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F2N3O3S/c1-2-23-15(22)20-7-5-19(6-8-20)14(24)18-13(21)10-3-4-11(16)12(17)9-10/h3-4,9H,2,5-8H2,1H3,(H,18,21,24)