N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-oxo-piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-oxopiperazine-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-3-keto-piperazine-1-carbothioamide Formula: C12H13F2N3OS2 MolecularWeight: 317.377926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C12H13F2N3OS2/c13-11(14)20-9-3-1-8(2-4-9)16-12(19)17-6-5-15-10(18)7-17/h1-4,11H,5-7H2,(H,15,18)(H,16,19)