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

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H24BrN3O2S/c1-2-13-26-21(28)18-14-17(23)10-11-19(18)25-22(26)29-15-20(27)24-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14H,2,6,9,12-13,15H2,1H3,(H,24,27)