2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C23H21ClN4O3S/c1-3-12-28-22(30)17-14-16(24)9-10-18(17)26-23(28)32-15-21(29)27(13-6-11-25)19-7-4-5-8-20(19)31-2/h3-5,7-10,14H,1,6,12-13,15H2,2H3