N-(4-piperidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-piperidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[4-(1-piperidyl)phenyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[4-(1-piperidinyl)phenyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(4-piperidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(4-piperidinophenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C22H21F3N4OS MolecularWeight: 446.48855

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C22H21F3N4OS/c23-22(24,25)21-27-18-7-3-2-6-17(18)20(28-21)31-14-19(30)26-15-8-10-16(11-9-15)29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-14H2,(H,26,30)