2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(isopropylcarbamoyl)acetamide Formula: C20H18ClFN4O3S MolecularWeight: 448.898323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFN4O3S/c1-11(2)23-19(29)25-17(27)10-30-20-24-16-6-4-3-5-13(16)18(28)26(20)12-7-8-15(22)14(21)9-12/h3-9,11H,10H2,1-2H3,(H2,23,25,27,29)