N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H23ClFN3O3S MolecularWeight: 463.952723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H23ClFN3O3S/c1-14(2)30-11-5-10-27-21(29)16-6-3-4-7-19(16)26-22(27)31-13-20(28)25-15-8-9-18(24)17(23)12-15/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3,(H,25,28)