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

Systemtic Name: (2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: (2R)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-phenylpropanamide IUPAC Name: (2R)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: (2R)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-phenyl-propionamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-3-11-24-19(26)16-12-14(21)9-10-17(16)23-20(24)27-13(2)18(25)22-15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3,(H,22,25)/t13-/m1/s1