2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-phenylpropyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-phenylpropyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-phenylpropyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(2-phenylpropyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-phenylpropyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(2-phenylpropyl)acetamide Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H26ClN3O3S/c1-16(17-6-3-2-4-7-17)13-26-22(29)15-32-24-27-21-12-18(25)9-10-20(21)23(30)28(24)14-19-8-5-11-31-19/h2-4,6-7,9-10,12,16,19H,5,8,11,13-15H2,1H3,(H,26,29)