1-[3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide Openeye Name: 1-[3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide CAS Name: 1-[3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide Traditional Name: 1-[3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoyl]isonipecotamide Formula: C21H23F3N4O3S MolecularWeight: 468.49253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCC(CC3)C(=O)N)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCC(CC3)C(=O)N)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3S/c1-31-15-4-2-13(3-5-15)16-12-17(21(22,23)24)27-20(26-16)32-11-8-18(29)28-9-6-14(7-10-28)19(25)30/h2-5,12,14H,6-11H2,1H3,(H2,25,30)