3,5-bis(bromanyl)-2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3,5-dibromo-2-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C21H14Br3NO3S MolecularWeight: 600.11776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2C(=O)O)Br)Br)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2C(=O)O)Br)Br)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H14Br3NO3S/c22-13-6-8-15(9-7-13)29-19(12-4-2-1-3-5-12)20(26)25-18-16(21(27)28)10-14(23)11-17(18)24/h1-11,19H,(H,25,26)(H,27,28)