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

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C26H22ClFN4O5S2 MolecularWeight: 589.058083

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C26H22ClFN4O5S2/c27-21-15-18(8-9-22(21)28)32-25(34)20-6-1-2-7-23(20)30-26(32)38-16-24(33)29-17-4-3-5-19(14-17)39(35,36)31-10-12-37-13-11-31/h1-9,14-15H,10-13,16H2,(H,29,33)