2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-phenylpropyl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-phenylpropyl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-phenylpropyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-phenylpropyl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-phenylpropyl)acetamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O2S/c1-3-11-26-21(28)18-10-9-17(23)12-19(18)25-22(26)29-14-20(27)24-13-15(2)16-7-5-4-6-8-16/h3-10,12,15H,1,11,13-14H2,2H3,(H,24,27)