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

Systemtic Name: 4-[[2-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid CAS Name: 4-[[oxo-[2-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[[2-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[2-[[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=C2C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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