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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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