N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(3-fluorophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-cyclopentyl-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxamide Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C28H26FN3O2S/c29-22-10-6-9-20(15-22)18-35-28-31-25-16-21(26(33)30-23-11-4-5-12-23)13-14-24(25)27(34)32(28)17-19-7-2-1-3-8-19/h1-3,6-10,13-16,23H,4-5,11-12,17-18H2,(H,30,33)