2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[3-(3,4-dimethoxyphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NCC=C)OC

InChI

InChI=1S/C22H22N4O5S/c1-4-11-23-21(29)25-19(27)13-32-22-24-16-8-6-5-7-15(16)20(28)26(22)14-9-10-17(30-2)18(12-14)31-3/h4-10,12H,1,11,13H2,2-3H3,(H2,23,25,27,29)