N-(4-bromophenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C23H26BrN4O3S+ MolecularWeight: 518.44654

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN4O3S/c24-17-6-8-18(9-7-17)25-21(29)16-32-23-26-20-5-2-1-4-19(20)22(30)28(23)11-3-10-27-12-14-31-15-13-27/h1-2,4-9H,3,10-16H2,(H,25,29)/p+1