2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]propanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-[oxo-(2,2,2-trifluoroethylamino)methyl]propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethylcarbamoyl)propionamide Formula: C20H25F3N4O3S MolecularWeight: 458.49771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C20H25F3N4O3S/c1-3-4-5-8-11-27-17(29)14-9-6-7-10-15(14)25-19(27)31-13(2)16(28)26-18(30)24-12-20(21,22)23/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H2,24,26,28,30)