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

Systemtic Name: 4-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[4-[(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=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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