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

Systemtic Name: 3-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(3-cyclopropyl-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:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O3S/c23-14-5-7-15(8-6-14)26(12-11-19(24)28)20(29)13-31-22-25-18-4-2-1-3-17(18)21(30)27(22)16-9-10-16/h1-8,16H,9-13H2,(H2,24,28)