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

Systemtic Name: 3-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c26-21(13-16-5-2-1-3-6-16)24-18-9-11-20(12-10-18)30-15-22(27)25-19-8-4-7-17(14-19)23(28)29/h1-12,14H,13,15H2,(H,24,26)(H,25,27)(H,28,29)