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

Systemtic Name: 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-[(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(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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