3,5-bis[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-(p-tolylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3,5-bis[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-(p-tolylthio)acetyl]amino]benzoic acid Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C25H24N2O4S2/c1-16-3-7-21(8-4-16)32-14-23(28)26-19-11-18(25(30)31)12-20(13-19)27-24(29)15-33-22-9-5-17(2)6-10-22/h3-13H,14-15H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)