2-(3-pyridin-2-ylsulfanylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-(3-pyridin-2-ylsulfanylpropylcarbamoyl)benzoic acid Openeye Name: 2-[3-(2-pyridylsulfanyl)propylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[3-(2-pyridinylthio)propylamino]methyl]benzoic acid IUPAC Name: 2-(3-pyridin-2-ylsulfanylpropylcarbamoyl)benzoic acid Traditional Name: 2-[3-(2-pyridylthio)propylcarbamoyl]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c19-15(12-6-1-2-7-13(12)16(20)21)18-10-5-11-22-14-8-3-4-9-17-14/h1-4,6-9H,5,10-11H2,(H,18,19)(H,20,21)