3-[[2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-1-phenyl-2-[(phenylmethyl)amino]ethyl]-(2-thiophen-2-ylethanoyl)amino]benzoic acid Openeye Name: 3-[[2-(benzylamino)-2-oxo-1-phenyl-ethyl]-[2-(2-thienyl)acetyl]amino]benzoic acid CAS Name: 3-[[2-oxo-1-phenyl-2-[(phenylmethyl)amino]ethyl]-(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid IUPAC Name: 3-[[2-(benzylamino)-2-oxo-1-phenylethyl]-(2-thiophen-2-ylacetyl)amino]benzoic acid Traditional Name: 3-[[2-(benzylamino)-2-keto-1-phenyl-ethyl]-[2-(2-thienyl)acetyl]amino]benzoic acid Formula: C28H24N2O4S MolecularWeight: 484.56616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)N(C3=CC=CC(=C3)C(=O)O)C(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)N(C3=CC=CC(=C3)C(=O)O)C(=O)CC4=CC=CS4

InChI

InChI=1S/C28H24N2O4S/c31-25(18-24-15-8-16-35-24)30(23-14-7-13-22(17-23)28(33)34)26(21-11-5-2-6-12-21)27(32)29-19-20-9-3-1-4-10-20/h1-17,26H,18-19H2,(H,29,32)(H,33,34)