ethyl 4-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(difluoromethylthio)phenyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H19F2N3O2S2 MolecularWeight: 375.457066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F2N3O2S2/c1-2-22-15(21)20-9-7-19(8-10-20)14(23)18-11-3-5-12(6-4-11)24-13(16)17/h3-6,13H,2,7-10H2,1H3,(H,18,23)