3,4-bis(2-phenylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3,4-bis(2-phenylsulfanylethanoylamino)benzoic acid Openeye Name: 3,4-bis[(2-phenylsulfanylacetyl)amino]benzoic acid CAS Name: 3,4-bis[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid IUPAC Name: 3,4-bis[(2-phenylsulfanylacetyl)amino]benzoic acid Traditional Name: 3,4-bis[[2-(phenylthio)acetyl]amino]benzoic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S2/c26-21(14-30-17-7-3-1-4-8-17)24-19-12-11-16(23(28)29)13-20(19)25-22(27)15-31-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,24,26)(H,25,27)(H,28,29)