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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodanyl-benzamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodo-benzamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-iodobenzamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-iodo-benzamide Formula: C20H12BrIN4O2S MolecularWeight: 579.20835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrIN4O2S/c21-13-6-12(9-23-10-13)19-25-16-8-15(4-5-17(16)28-19)24-20(29)26-18(27)11-2-1-3-14(22)7-11/h1-10H,(H2,24,26,27,29)