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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H22ClN3O5S/c1-5-8-26-21(28)15-7-6-13(23)9-16(15)25-22(26)32-12-19(27)24-14-10-17(29-2)20(31-4)18(11-14)30-3/h5-7,9-11H,1,8,12H2,2-4H3,(H,24,27)