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

Systemtic Name: 2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O2S/c1-3-11-27-19(29)16-9-4-5-10-17(16)26-20(27)30-13(2)18(28)25-15-8-6-7-14(12-15)21(22,23)24/h4-10,12-13H,3,11H2,1-2H3,(H,25,28)