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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(3-imidazol-1-ylpropyl)propionamide Formula: C21H20F3N5O3S MolecularWeight: 479.47541

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)SCCC(=O)NCCCN4C=CN=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)SCCC(=O)NCCCN4C=CN=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O3S/c22-21(23,24)18-11-15(14-2-3-16-17(10-14)32-13-31-16)27-20(28-18)33-9-4-19(30)26-5-1-7-29-8-6-25-12-29/h2-3,6,8,10-12H,1,4-5,7,9,13H2,(H,26,30)