3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide

Systemtic Name: 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C22H20ClFN4O3S MolecularWeight: 474.935603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN4O3S/c1-2-10-28-21(31)17-8-3-14(23)12-18(17)26-22(28)32-13-20(30)27(11-9-19(25)29)16-6-4-15(24)5-7-16/h2-8,12H,1,9-11,13H2,(H2,25,29)