N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H14BrIN4O5S MolecularWeight: 653.24383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H14BrIN4O5S/c1-32-19-6-2-11(8-17(19)28(30)31)20(29)27-22(34)25-13-4-7-18-16(10-13)26-21(33-18)14-9-12(24)3-5-15(14)23/h2-10H,1H3,(H2,25,27,29,34)