N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H17BrFN3O2S MolecularWeight: 462.335283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H17BrFN3O2S/c1-11(18(26)23-17-9-6-12(21)10-15(17)22)28-20-24-16-5-3-2-4-14(16)19(27)25(20)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,23,26)