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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-formyl-piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-formylpiperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-formyl-piperazine-1-carbothioamide Formula: C13H15F2N3OS2 MolecularWeight: 331.404506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C13H15F2N3OS2/c14-12(15)21-11-3-1-10(2-4-11)16-13(20)18-7-5-17(9-19)6-8-18/h1-4,9,12H,5-8H2,(H,16,20)