2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-phenylpropanamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-phenyl-propionamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O2S/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/h4-10,12-13H,3,11H2,1-2H3,(H,22,25)