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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]coumarilamide Formula: C23H13BrIN3O3S MolecularWeight: 618.24109

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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=C(C=CC(=C5)I)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H13BrIN3O3S/c24-16-7-5-13(25)10-15(16)22-27-17-11-14(6-8-19(17)31-22)26-23(32)28-21(29)20-9-12-3-1-2-4-18(12)30-20/h1-11H,(H2,26,28,29,32)