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

Systemtic Name: 2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-3-11-22-20(28)24-18(26)13-30-21-23-17-10-5-4-9-16(17)19(27)25(21)14-7-6-8-15(12-14)29-2/h3-10,12H,1,11,13H2,2H3,(H2,22,24,26,28)