4-[[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-(m-anisoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C29H24N2O5S MolecularWeight: 512.57626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H24N2O5S/c1-36-24-11-5-9-21(17-24)27(32)31-23-10-6-12-25(18-23)37-26(19-7-3-2-4-8-19)28(33)30-22-15-13-20(14-16-22)29(34)35/h2-18,26H,1H3,(H,30,33)(H,31,32)(H,34,35)