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

Systemtic Name: N-(3-phenylpropyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3-phenylpropyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-phenylpropyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-phenylpropyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3-phenylpropyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C20H18F3N3OS MolecularWeight: 405.43663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H18F3N3OS/c21-20(22,23)19-25-16-11-5-4-10-15(16)18(26-19)28-13-17(27)24-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,24,27)