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

Systemtic Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetamide Formula: C26H24FN3O4S MolecularWeight: 493.549863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC)F

InChI

InChI=1S/C26H24FN3O4S/c1-16-8-10-18(13-20(16)27)28-24(31)15-35-26-29-21-7-5-4-6-19(21)25(32)30(26)14-17-9-11-22(33-2)23(12-17)34-3/h4-13H,14-15H2,1-3H3,(H,28,31)