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

Systemtic Name: N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[3-(difluoromethylsulfonyl)phenyl]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[3-(difluoromethylsulfonyl)phenyl]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[3-(difluoromethylsulfonyl)phenyl]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[3-(difluoromethylsulfonyl)phenyl]-4-phenyl-piperazine-1-carbothioamide Formula: C18H19F2N3O2S2 MolecularWeight: 411.489166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC(=CC=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C18H19F2N3O2S2/c19-17(20)27(24,25)16-8-4-5-14(13-16)21-18(26)23-11-9-22(10-12-23)15-6-2-1-3-7-15/h1-8,13,17H,9-12H2,(H,21,26)