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

Systemtic Name: 4-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-phenyl-2-[[3-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H20N2O4S2 MolecularWeight: 488.578

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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(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C(=O)O)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H20N2O4S2/c29-24(22-10-5-15-33-22)28-20-8-4-9-21(16-20)34-23(17-6-2-1-3-7-17)25(30)27-19-13-11-18(12-14-19)26(31)32/h1-16,23H,(H,27,30)(H,28,29)(H,31,32)