2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]propanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-[oxo-(2,2,2-trifluoroethylamino)methyl]propanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethylcarbamoyl)propionamide Formula: C17H18BrF3N4O3S MolecularWeight: 495.31403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C17H18BrF3N4O3S/c1-3-6-25-14(27)11-7-10(18)4-5-12(11)23-16(25)29-9(2)13(26)24-15(28)22-8-17(19,20)21/h4-5,7,9H,3,6,8H2,1-2H3,(H2,22,24,26,28)