3-[2-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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