4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C28H23N3O3S2 MolecularWeight: 513.63052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O3S2/c32-26(29-22-16-14-20(15-17-22)27(33)34)25(19-8-3-1-4-9-19)36-24-13-7-12-23(18-24)31-28(35)30-21-10-5-2-6-11-21/h1-18,25H,(H,29,32)(H,33,34)(H2,30,31,35)