3,5-bis(2-pyridin-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3,5-bis(2-pyridin-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 3,5-bis[[2-(2-pyridylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3,5-bis[[1-oxo-2-(2-pyridinylthio)ethyl]amino]benzoic acid IUPAC Name: 3,5-bis[(2-pyridin-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 3,5-bis[[2-(2-pyridylthio)acetyl]amino]benzoic acid Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CSC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H18N4O4S2/c26-17(12-30-19-5-1-3-7-22-19)24-15-9-14(21(28)29)10-16(11-15)25-18(27)13-31-20-6-2-4-8-23-20/h1-11H,12-13H2,(H,24,26)(H,25,27)(H,28,29)