3-[2-[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-(p-anisoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H22N2O5S/c1-15(22(27)26-19-5-3-4-17(14-19)24(29)30)32-21-12-8-18(9-13-21)25-23(28)16-6-10-20(31-2)11-7-16/h3-15H,1-2H3,(H,25,28)(H,26,27)(H,29,30)