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

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C23H21ClN4O2S/c1-3-13-28-22(30)19-15-17(24)10-11-20(19)26-23(28)31-16(2)21(29)27(14-7-12-25)18-8-5-4-6-9-18/h3-6,8-11,15-16H,1,7,13-14H2,2H3