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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C20H11BrClIN4O2S MolecularWeight: 613.65341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)N=C(O2)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC2=C(C=C1NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl)N=C(O2)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H11BrClIN4O2S/c21-11-5-10(8-24-9-11)19-26-16-7-13(2-4-17(16)29-19)25-20(30)27-18(28)14-6-12(23)1-3-15(14)22/h1-9H,(H2,25,27,28,30)