N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C25H14Br2IN3O3S MolecularWeight: 723.17443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Br)Br

InChI

InChI=1S/C25H14Br2IN3O3S/c26-14-3-1-13(2-4-14)20-9-10-22(33-20)23(32)31-25(35)29-16-6-8-21-19(12-16)30-24(34-21)17-11-15(28)5-7-18(17)27/h1-12H,(H2,29,31,32,35)