N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[2-(phenylthio)ethyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-[2-(phenylthio)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3OS/c21-20(22,23)16-5-4-6-17(15-16)25-10-12-26(13-11-25)19(27)24-9-14-28-18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,24,27)