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

Systemtic Name: 2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C22H22F3N3O3S MolecularWeight: 465.48859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C22H22F3N3O3S/c1-14(19(29)26-16-8-5-7-15(13-16)22(23,24)25)32-21-27-18-10-4-3-9-17(18)20(30)28(21)11-6-12-31-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,26,29)