N-(phenylmethyl)-N-propan-2-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(phenylmethyl)-N-propan-2-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(phenylmethyl)-N-propan-2-yl-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-benzyl-N-propan-2-yl-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-14(2)27(12-15-8-4-3-5-9-15)18(28)13-29-19-16-10-6-7-11-17(16)25-20(26-19)21(22,23)24/h3-11,14H,12-13H2,1-2H3