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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-cyclopropyl-2-phenyl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H22BrN3O2S/c1-2-12-26-21(28)17-13-15(23)8-11-18(17)25-22(26)29-19(14-6-4-3-5-7-14)20(27)24-16-9-10-16/h3-8,11,13,16,19H,2,9-10,12H2,1H3,(H,24,27)