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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chlorobenzyl)-2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H17ClFN3O2S MolecularWeight: 453.916383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17ClFN3O2S/c24-16-5-3-4-15(12-16)13-26-21(29)14-31-23-27-20-7-2-1-6-19(20)22(30)28(23)18-10-8-17(25)9-11-18/h1-12H,13-14H2,(H,26,29)