3,4-bis[2-(4-chlorophenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3,4-bis[2-(4-chlorophenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3,4-bis[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzoic acid CAS Name: 3,4-bis[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3,4-bis[[2-[(4-chlorophenyl)thio]acetyl]amino]benzoic acid Formula: C23H18Cl2N2O4S2 MolecularWeight: 521.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H18Cl2N2O4S2/c24-15-2-6-17(7-3-15)32-12-21(28)26-19-10-1-14(23(30)31)11-20(19)27-22(29)13-33-18-8-4-16(25)5-9-18/h1-11H,12-13H2,(H,26,28)(H,27,29)(H,30,31)