N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H11BrN6O2S2 MolecularWeight: 511.37434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

Isomeric SMILES

C1=CC2=NSN=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

InChI

InChI=1S/C20H11BrN6O2S2/c21-12-5-11(8-22-9-12)19-24-16-7-13(2-4-17(16)29-19)23-20(30)25-18(28)10-1-3-14-15(6-10)27-31-26-14/h1-9H,(H2,23,25,28,30)