N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-fluoranyl-phenyl]ethanamide

Systemtic Name: N-[4-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-fluoranyl-phenyl]ethanamide Openeye Name: N-[4-[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-fluoro-phenyl]acetamide CAS Name: N-[4-[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-fluorophenyl]acetamide IUPAC Name: N-[4-[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-fluorophenyl]acetamide Traditional Name: N-[4-[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-fluoro-phenyl]acetamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)F

InChI

InChI=1S/C21H18FN3O3S/c1-12(26)23-13-6-9-15(17(22)10-13)19(27)11-29-21-24-18-5-3-2-4-16(18)20(28)25(21)14-7-8-14/h2-6,9-10,14H,7-8,11H2,1H3,(H,23,26)