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

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(isoamylcarbamoyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C17H19F3N4O2S MolecularWeight: 400.41857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2S/c1-10(2)7-8-21-16(26)23-13(25)9-27-14-11-5-3-4-6-12(11)22-15(24-14)17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H2,21,23,25,26)