3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-[3-(2-ketopyrrolidino)propyl]propionamide Formula: C22H23F3N4O4S MolecularWeight: 496.50263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23F3N4O4S/c23-22(24,25)18-12-15(14-4-5-16-17(11-14)33-13-32-16)27-21(28-18)34-10-6-19(30)26-7-2-9-29-8-1-3-20(29)31/h4-5,11-12H,1-3,6-10,13H2,(H,26,30)