N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-(2-furoyl)piperazine-1-carbothioamide Formula: C17H17F2N3O2S2 MolecularWeight: 397.462586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C17H17F2N3O2S2/c18-16(19)26-13-5-3-12(4-6-13)20-17(25)22-9-7-21(8-10-22)15(23)14-2-1-11-24-14/h1-6,11,16H,7-10H2,(H,20,25)