3,4-bis[2-(4-methylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: 3,4-bis[2-(4-methylphenyl)sulfanylethanoylamino]benzoate Openeye Name: 3,4-bis[[2-(p-tolylsulfanyl)acetyl]amino]benzoate CAS Name: 3,4-bis[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3,4-bis[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 3,4-bis[[2-(p-tolylthio)acetyl]amino]benzoate Formula: C25H23N2O4S2- MolecularWeight: 479.59112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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