2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]acetamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C22H21ClN4O4S/c1-4-9-24-21(30)26-19(28)12-32-22-25-16-11-14(23)6-7-15(16)20(29)27(22)17-10-13(2)5-8-18(17)31-3/h4-8,10-11H,1,9,12H2,2-3H3,(H2,24,26,28,30)