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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-ethylphenyl)acetamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC=C3CC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC3=CC=CC=C3CC

InChI

InChI=1S/C21H22BrN3O2S/c1-3-11-25-20(27)16-12-15(22)9-10-18(16)24-21(25)28-13-19(26)23-17-8-6-5-7-14(17)4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)