2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(3,5-dimethoxyphenyl)acetamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-4-7-25-20(27)17-6-5-13(22)8-18(17)24-21(25)30-12-19(26)23-14-9-15(28-2)11-16(10-14)29-3/h4-6,8-11H,1,7,12H2,2-3H3,(H,23,26)