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

Systemtic Name: 3-[2-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[4-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C25H24N2O6S/c1-15-7-8-16(25(30)31)13-19(15)27-22(28)14-34-18-11-9-17(10-12-18)26-24(29)23-20(32-2)5-4-6-21(23)33-3/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)(H,30,31)