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

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclooctyl-acetamide Formula: C24H25ClFN3O2S MolecularWeight: 473.990603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H25ClFN3O2S/c25-19-14-17(12-13-20(19)26)29-23(31)18-10-6-7-11-21(18)28-24(29)32-15-22(30)27-16-8-4-2-1-3-5-9-16/h6-7,10-14,16H,1-5,8-9,15H2,(H,27,30)