N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C24H20N5O3S2+ MolecularWeight: 490.5773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

InChI

InChI=1S/C24H19N5O3S2/c1-14-9-10-25-20(11-14)29-22(31)16-5-3-4-6-17(16)27-24(29)33-13-21(30)28-23-26-18-8-7-15(32-2)12-19(18)34-23/h3-12H,13H2,1-2H3,(H,26,28,30)/p+1