N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C18H18ClF3N4OS MolecularWeight: 430.87493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4OS/c19-13-5-4-12(18(20,21)22)8-14(13)25-16(27)10-28-17-9-15(23-11-24-17)26-6-2-1-3-7-26/h4-5,8-9,11H,1-3,6-7,10H2,(H,25,27)