3-[(4-fluorophenyl)-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(4-fluorophenyl)-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-(N-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(4-fluoro-N-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]anilino)propanamide IUPAC Name: 3-(4-fluoro-N-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN4O3S/c1-2-12-27-21(30)17-5-3-4-6-18(17)25-22(27)31-14-20(29)26(13-11-19(24)28)16-9-7-15(23)8-10-16/h2-10H,1,11-14H2,(H2,24,28)