5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)pentanamide

Systemtic Name: 5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)pentanamide CAS Name: 5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-fluorophenyl)pentanamide IUPAC Name: 5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-fluorophenyl)pentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-fluorophenyl)valeramide Formula: C25H21ClFN3O2S MolecularWeight: 481.969543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NC3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCCC(=O)NC3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H21ClFN3O2S/c26-17-6-5-7-20(16-17)30-24(32)21-8-1-2-9-22(21)29-25(30)33-15-4-3-10-23(31)28-19-13-11-18(27)12-14-19/h1-2,5-9,11-14,16H,3-4,10,15H2,(H,28,31)