N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]-N-homoveratryl-acetamide Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H24FN3O3S/c1-32-22-11-8-17(14-23(22)33-2)12-13-28-24(31)16-34-26-20-15-19(27)9-10-21(20)29-25(30-26)18-6-4-3-5-7-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)