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

Systemtic Name: 4-[2-[3-[(4-methoxyphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(p-anisoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c1-30-19-11-7-15(8-12-19)22(27)25-18-3-2-4-20(13-18)31-14-21(26)24-17-9-5-16(6-10-17)23(28)29/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29)