N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-acetyl-N-[4-(difluoromethylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-[4-(difluoromethylthio)phenyl]piperazine-1-carbothioamide Formula: C14H17F2N3OS2 MolecularWeight: 345.431086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2N3OS2/c1-10(20)18-6-8-19(9-7-18)14(21)17-11-2-4-12(5-3-11)22-13(15)16/h2-5,13H,6-9H2,1H3,(H,17,21)