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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-N-methyl-propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-N-methyl-propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-cyclohexyl-N-methylpropanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-cyclohexyl-N-methylpropanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-cyclohexyl-N-methyl-propionamide Formula: C22H24F3N3O3S MolecularWeight: 467.50447

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C1CCCCC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24F3N3O3S/c1-28(15-5-3-2-4-6-15)20(29)9-10-32-21-26-16(12-19(27-21)22(23,24)25)14-7-8-17-18(11-14)31-13-30-17/h7-8,11-12,15H,2-6,9-10,13H2,1H3