N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]-N-piazthiol-4-yl-acetamide Formula: C23H25N6O3S2+ MolecularWeight: 497.613

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C23H24N6O3S2/c30-20(24-18-7-3-8-19-21(18)27-34-26-19)15-33-23-25-17-6-2-1-5-16(17)22(31)29(23)10-4-9-28-11-13-32-14-12-28/h1-3,5-8H,4,9-15H2,(H,24,30)/p+1