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

Systemtic Name: (2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C22H20ClN3O3S/c1-4-11-26-21(29)18-12-16(23)7-10-19(18)25-22(26)30-14(3)20(28)24-17-8-5-15(6-9-17)13(2)27/h4-10,12,14H,1,11H2,2-3H3,(H,24,28)/t14-/m1/s1