2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)CCCO

InChI

InChI=1S/C20H18F3N3O4S/c21-20(22,23)30-14-8-6-13(7-9-14)24-17(28)12-31-19-25-16-5-2-1-4-15(16)18(29)26(19)10-3-11-27/h1-2,4-9,27H,3,10-12H2,(H,24,28)