N-cyclopentyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide

Systemtic Name: N-cyclopentyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]methyl]benzamide Openeye Name: N-cyclopentyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]benzamide CAS Name: N-cyclopentyl-4-[[2-[(3-fluorophenyl)methylthio]-4-oxo-3-quinazolinyl]methyl]benzamide IUPAC Name: N-cyclopentyl-4-[[2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]benzamide Traditional Name: N-cyclopentyl-4-[[2-[(3-fluorobenzyl)thio]-4-keto-quinazolin-3-yl]methyl]benzamide Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN3O2S/c29-22-7-5-6-20(16-22)18-35-28-31-25-11-4-3-10-24(25)27(34)32(28)17-19-12-14-21(15-13-19)26(33)30-23-8-1-2-9-23/h3-7,10-16,23H,1-2,8-9,17-18H2,(H,30,33)