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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethyl]propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2,2,2-trifluoroethyl)propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethyl)propionamide Formula: C19H24F3N3O2S MolecularWeight: 415.47297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24F3N3O2S/c1-3-4-5-8-11-25-17(27)14-9-6-7-10-15(14)24-18(25)28-13(2)16(26)23-12-19(20,21)22/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,23,26)