N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C22H17BrN4O4S MolecularWeight: 513.36378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H17BrN4O4S/c1-29-17-4-3-5-18(30-2)19(17)20(28)27-22(32)25-14-6-7-16-15(9-14)26-21(31-16)12-8-13(23)11-24-10-12/h3-11H,1-2H3,(H2,25,27,28,32)