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

Systemtic Name: 3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3S/c1-2-25-20(29)16-5-3-4-6-17(16)24-21(25)30-13-19(28)26(12-11-18(23)27)15-9-7-14(22)8-10-15/h3-10H,2,11-13H2,1H3,(H2,23,27)