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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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