4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O4S/c1-16(23(28)26-19-12-10-18(11-13-19)24(29)30)31-21-9-5-8-20(15-21)25-22(27)14-17-6-3-2-4-7-17/h2-13,15-16H,14H2,1H3,(H,25,27)(H,26,28)(H,29,30)