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

Systemtic Name: N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(2-fluorophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(2-fluorobenzyl)thio]-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C29H28FN3O2S MolecularWeight: 501.614923

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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=C4F)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4F)CCC5=CC=CC=C5

InChI

InChI=1S/C29H28FN3O2S/c30-25-13-7-4-10-22(25)19-36-29-32-26-18-21(27(34)31-23-11-5-6-12-23)14-15-24(26)28(35)33(29)17-16-20-8-2-1-3-9-20/h1-4,7-10,13-15,18,23H,5-6,11-12,16-17,19H2,(H,31,34)