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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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