2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-3-12-27-19(29)16-6-4-5-7-17(16)26-20(27)31-13(2)18(28)25-14-8-10-15(11-9-14)30-21(22,23)24/h4-11,13H,3,12H2,1-2H3,(H,25,28)