N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C25H15IN4O5S MolecularWeight: 610.37987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

InChI

InChI=1S/C25H15IN4O5S/c26-16-5-1-4-15(11-16)24-28-19-13-17(7-8-21(19)35-24)27-25(36)29-23(31)22-10-9-20(34-22)14-3-2-6-18(12-14)30(32)33/h1-13H,(H2,27,29,31,36)