N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O2S/c22-16-11-13(9-10-17(16)23)24-19(27)12-29-21-25-18-8-4-3-7-15(18)20(28)26(21)14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H,24,27)