N-methyl-3-phenyl-2-[2,2,2-tris(fluoranyl)-1-phenyl-ethoxy]piperidine-1-carbothioamide

Systemtic Name: N-methyl-3-phenyl-2-[2,2,2-tris(fluoranyl)-1-phenyl-ethoxy]piperidine-1-carbothioamide Openeye Name: N-methyl-3-phenyl-2-(2,2,2-trifluoro-1-phenyl-ethoxy)piperidine-1-carbothioamide CAS Name: N-methyl-3-phenyl-2-(2,2,2-trifluoro-1-phenylethoxy)-1-piperidinecarbothioamide IUPAC Name: N-methyl-3-phenyl-2-(2,2,2-trifluoro-1-phenylethoxy)piperidine-1-carbothioamide Traditional Name: N-methyl-3-phenyl-2-(2,2,2-trifluoro-1-phenyl-ethoxy)piperidine-1-carbothioamide Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCC(C1OC(C2=CC=CC=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CNC(=S)N1CCCC(C1OC(C2=CC=CC=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H23F3N2OS/c1-25-20(28)26-14-8-13-17(15-9-4-2-5-10-15)19(26)27-18(21(22,23)24)16-11-6-3-7-12-16/h2-7,9-12,17-19H,8,13-14H2,1H3,(H,25,28)