4-[[3-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[[3-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[[2-(phenylthio)acetyl]amino]benzoyl]amino]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H18N2O4S/c25-20(14-29-19-7-2-1-3-8-19)23-18-6-4-5-16(13-18)21(26)24-17-11-9-15(10-12-17)22(27)28/h1-13H,14H2,(H,23,25)(H,24,26)(H,27,28)