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

Systemtic Name: N-(4-acetamidophenyl)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(4-acetamidophenyl)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H21ClN4O3S/c1-4-11-27-21(30)18-12-15(23)5-10-19(18)26-22(27)31-13(2)20(29)25-17-8-6-16(7-9-17)24-14(3)28/h4-10,12-13H,1,11H2,2-3H3,(H,24,28)(H,25,29)