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

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]-N-piazthiol-4-yl-acetamide Formula: C21H21N6O3S+ MolecularWeight: 437.49484

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H20N6O3S/c28-19(23-16-6-3-7-17-20(16)25-31-24-17)13-27-18(12-26-8-10-30-11-9-26)22-15-5-2-1-4-14(15)21(27)29/h1-7H,8-13H2,(H,23,28)/p+1