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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-pyridin-4-yl-piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(4-pyridyl)piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-pyridin-4-yl-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-pyridin-4-ylpiperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-(4-pyridyl)piperazine-1-carbothioamide Formula: C17H18F2N4S2 MolecularWeight: 380.478426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C17H18F2N4S2/c18-16(19)25-15-3-1-13(2-4-15)21-17(24)23-11-9-22(10-12-23)14-5-7-20-8-6-14/h1-8,16H,9-12H2,(H,21,24)