2-oxidanyl-5-[[2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 5-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 2-hydroxy-5-[[2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C28H23N3O4S2 MolecularWeight: 529.62992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H23N3O4S2/c32-24-16-13-21(17-23(24)27(34)35)29-26(33)25(18-7-3-1-4-8-18)37-22-14-11-20(12-15-22)31-28(36)30-19-9-5-2-6-10-19/h1-17,25,32H,(H,29,33)(H,34,35)(H2,30,31,36)