4-[2-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H22N2O6S/c1-31-19-4-3-5-20(32-2)22(19)23(28)26-17-10-12-18(13-11-17)33-14-21(27)25-16-8-6-15(7-9-16)24(29)30/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)