N-(1-adamantylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C22H23F3N4O2S MolecularWeight: 464.50383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C22H23F3N4O2S/c23-22(24,25)19-26-16-4-2-1-3-15(16)18(28-19)32-11-17(30)27-20(31)29-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H2,27,29,30,31)