N-[3-(dimethylamino)propyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(dimethylamino)propyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[3-(dimethylamino)propyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[3-(dimethylamino)propyl]-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C18H21F3N4OS MolecularWeight: 398.44575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CN(C)CCCNC(=O)CSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C18H21F3N4OS/c1-25(2)10-6-9-22-16(26)12-27-17-23-14(13-7-4-3-5-8-13)11-15(24-17)18(19,20)21/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,22,26)