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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-veratryl-acetamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S/c1-4-9-26-21(28)16-7-6-15(23)11-17(16)25-22(26)31-13-20(27)24-12-14-5-8-18(29-2)19(10-14)30-3/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,24,27)