N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C22H16BrN5O5S MolecularWeight: 542.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN5O5S/c1-2-32-19-5-3-12(8-17(19)28(30)31)20(29)27-22(34)25-15-4-6-18-16(9-15)26-21(33-18)13-7-14(23)11-24-10-13/h3-11H,2H2,1H3,(H2,25,27,29,34)