N-(tert-butylcarbamoyl)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetamide Formula: C22H21F3N4O3S MolecularWeight: 478.48735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O3S/c1-21(2,3)28-19(32)27-17(30)12-33-20-26-16-10-5-4-9-15(16)18(31)29(20)14-8-6-7-13(11-14)22(23,24)25/h4-11H,12H2,1-3H3,(H2,27,28,30,32)