N-(3-methylbutyl)-2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[2-phenyl-8-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-isoamyl-2-[[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C22H22F3N3OS MolecularWeight: 433.48979

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC(=NC2=C1C=CC=C2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H22F3N3OS/c1-14(2)11-12-26-18(29)13-30-21-16-9-6-10-17(22(23,24)25)19(16)27-20(28-21)15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H,26,29)