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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]coumarilamide Formula: C22H13BrN4O3S MolecularWeight: 493.33262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

InChI

InChI=1S/C22H13BrN4O3S/c23-14-7-13(10-24-11-14)21-26-16-9-15(5-6-18(16)30-21)25-22(31)27-20(28)19-8-12-3-1-2-4-17(12)29-19/h1-11H,(H2,25,27,28,31)