2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H21F3N4OS MolecularWeight: 434.47785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N4OS/c1-2-3-11-25-19-16-9-4-5-10-17(16)27-20(28-19)30-13-18(29)26-15-8-6-7-14(12-15)21(22,23)24/h4-10,12H,2-3,11,13H2,1H3,(H,26,29)(H,25,27,28)