N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C22H21FN5O2S2+ MolecularWeight: 470.562843

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C22H20FN5O2S2/c23-14-5-6-17-18(11-14)32-22(25-17)27-20(29)13-31-21-15-3-1-2-4-16(15)24-19(26-21)12-28-7-9-30-10-8-28/h1-6,11H,7-10,12-13H2,(H,25,27,29)/p+1