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

Systemtic Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-(phenethylamino)-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-(phenethylamino)quinazolin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C25H21F3N4OS MolecularWeight: 482.52065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H21F3N4OS/c26-25(27,28)18-9-6-10-19(15-18)30-22(33)16-34-24-31-21-12-5-4-11-20(21)23(32-24)29-14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,30,33)(H,29,31,32)