2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C21H20ClN3O2S/c1-4-7-25-20(27)17-11-15(22)5-6-18(17)24-21(25)28-12-19(26)23-16-9-13(2)8-14(3)10-16/h4-6,8-11H,1,7,12H2,2-3H3,(H,23,26)