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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-phenethylpropanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-phenethylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-phenethyl-propionamide Formula: C23H20F3N3O3S MolecularWeight: 475.48341

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)SCCC(=O)NCCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)SCCC(=O)NCCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H20F3N3O3S/c24-23(25,26)20-13-17(16-6-7-18-19(12-16)32-14-31-18)28-22(29-20)33-11-9-21(30)27-10-8-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2,(H,27,30)