N-[2-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(4-ethylpiperazino)-5-(trifluoromethyl)phenyl]-2-(2-pyridylthio)acetamide Formula: C20H23F3N4OS MolecularWeight: 424.48303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H23F3N4OS/c1-2-26-9-11-27(12-10-26)17-7-6-15(20(21,22)23)13-16(17)25-18(28)14-29-19-5-3-4-8-24-19/h3-8,13H,2,9-12,14H2,1H3,(H,25,28)