N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C15H11Br2N3O5S MolecularWeight: 505.13794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C(=C2)Br)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H11Br2N3O5S/c1-25-12-3-2-7(4-11(12)20(23)24)14(22)19-15(26)18-8-5-9(16)13(21)10(17)6-8/h2-6,21H,1H3,(H2,18,19,22,26)