N-(2-methylsulfanylphenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propanamide CAS Name: N-[2-(methylthio)phenyl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]propionamide Formula: C20H23F3N4OS MolecularWeight: 424.48303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4OS/c1-29-17-5-3-2-4-16(17)25-19(28)8-9-26-10-12-27(13-11-26)18-7-6-15(14-24-18)20(21,22)23/h2-7,14H,8-13H2,1H3,(H,25,28)