N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-veratryl-acetamide Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H22FN3O4S/c1-32-21-12-7-16(13-22(21)33-2)14-27-23(30)15-34-25-28-20-6-4-3-5-19(20)24(31)29(25)18-10-8-17(26)9-11-18/h3-13H,14-15H2,1-2H3,(H,27,30)