N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H17F2N5S2 MolecularWeight: 381.466486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C16H17F2N5S2/c17-14(18)25-13-4-2-12(3-5-13)21-16(24)23-10-8-22(9-11-23)15-19-6-1-7-20-15/h1-7,14H,8-11H2,(H,21,24)