N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(5-methylheptyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[3-(5-methylheptyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[3-(5-methylheptyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(5-methylheptyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[3-(5-methylheptyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-keto-3-(5-methylheptyl)quinazolin-2-yl]thio]acetamide Formula: C24H27ClFN3O2S MolecularWeight: 476.006483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC(C)CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C24H27ClFN3O2S/c1-3-16(2)8-6-7-13-29-23(31)18-9-4-5-10-21(18)28-24(29)32-15-22(30)27-17-11-12-20(26)19(25)14-17/h4-5,9-12,14,16H,3,6-8,13,15H2,1-2H3,(H,27,30)