N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C20H17ClF3N3O2S MolecularWeight: 455.88109

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17ClF3N3O2S/c1-2-9-27-18(29)13-5-3-4-6-15(13)26-19(27)30-11-17(28)25-16-10-12(20(22,23)24)7-8-14(16)21/h3-8,10H,2,9,11H2,1H3,(H,25,28)