2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(4-methoxyanilino)-oxomethyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[(4-methoxyphenyl)carbamoyl]acetamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O4S/c1-3-10-26-19(28)16-9-4-13(22)11-17(16)24-21(26)31-12-18(27)25-20(29)23-14-5-7-15(30-2)8-6-14/h3-9,11H,1,10,12H2,2H3,(H2,23,25,27,29)