2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H20F3N3O3S/c1-13(18(29)25-15-9-7-14(8-10-15)21(22,23)24)31-20-26-17-6-3-2-5-16(17)19(30)27(20)11-4-12-28/h2-3,5-10,13,28H,4,11-12H2,1H3,(H,25,29)