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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-[4-(difluoromethylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-[4-(difluoromethylthio)phenyl]piperazine-1-carbothioamide Formula: C19H19F2N3OS2 MolecularWeight: 407.500466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C19H19F2N3OS2/c20-18(21)27-16-8-6-15(7-9-16)22-19(26)24-12-10-23(11-13-24)17(25)14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H,22,26)