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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)F)OC

InChI

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