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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methyl-piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-methyl-piperazine-1-carbothioamide Formula: C13H17F2N3S2 MolecularWeight: 317.420986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C13H17F2N3S2/c1-17-6-8-18(9-7-17)13(19)16-10-2-4-11(5-3-10)20-12(14)15/h2-5,12H,6-9H2,1H3,(H,16,19)