1-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbamothioyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[4-(difluoromethylthio)anilino]-sulfanylidenemethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[[4-(difluoromethylthio)phenyl]thiocarbamoyl]-N-phenyl-nipecotamide Formula: C20H21F2N3OS2 MolecularWeight: 421.527046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)SC(F)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)SC(F)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21F2N3OS2/c21-19(22)28-17-10-8-16(9-11-17)24-20(27)25-12-4-5-14(13-25)18(26)23-15-6-2-1-3-7-15/h1-3,6-11,14,19H,4-5,12-13H2,(H,23,26)(H,24,27)