N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: 4-cinnamyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(3-phenylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-cinnamyl-N-[4-(difluoromethylthio)phenyl]piperazine-1-carbothioamide Formula: C21H23F2N3S2 MolecularWeight: 419.554226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C21H23F2N3S2/c22-20(23)28-19-10-8-18(9-11-19)24-21(27)26-15-13-25(14-16-26)12-4-7-17-5-2-1-3-6-17/h1-11,20H,12-16H2,(H,24,27)