2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: 2-[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]-2-phenylacetamide IUPAC Name: 2-(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-2-phenylacetamide Traditional Name: 2-[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H22BrN3O2S/c1-2-3-7-12-25-20(27)16-13-15(22)10-11-17(16)24-21(25)28-18(19(23)26)14-8-5-4-6-9-14/h4-6,8-11,13,18H,2-3,7,12H2,1H3,(H2,23,26)