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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-cyclopropylcarbonyl-piperazine-1-carbothioamide Openeye Name: 4-(cyclopropanecarbonyl)-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[cyclopropyl(oxo)methyl]-N-[4-(difluoromethylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(cyclopropanecarbonyl)-N-[4-(difluoromethylsulfanyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(cyclopropanecarbonyl)-N-[4-(difluoromethylthio)phenyl]piperazine-1-carbothioamide Formula: C16H19F2N3OS2 MolecularWeight: 371.468366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C16H19F2N3OS2/c17-15(18)24-13-5-3-12(4-6-13)19-16(23)21-9-7-20(8-10-21)14(22)11-1-2-11/h3-6,11,15H,1-2,7-10H2,(H,19,23)