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

Systemtic Name: 5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]pentanamide CAS Name: 5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]pentanamide IUPAC Name: 5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]pentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-fluorobenzyl)valeramide Formula: C26H23ClFN3O2S MolecularWeight: 495.996123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClFN3O2S/c27-19-6-5-7-21(16-19)31-25(33)22-8-1-2-9-23(22)30-26(31)34-15-4-3-10-24(32)29-17-18-11-13-20(28)14-12-18/h1-2,5-9,11-14,16H,3-4,10,15,17H2,(H,29,32)