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2-(3-pyridin-4-ylsulfanylpropylcarbamoyl)benzoic acid

2-(3-pyridin-4-ylsulfanylpropylcarbamoyl)benzoic acid

Systemtic Name:2-(3-pyridin-4-ylsulfanylpropylcarbamoyl)benzoic acid
Openeye Name:2-[3-(4-pyridylsulfanyl)propylcarbamoyl]benzoic acid
CAS Name:2-[oxo-[3-(pyridin-4-ylthio)propylamino]methyl]benzoic acid
IUPAC Name:2-(3-pyridin-4-ylsulfanylpropylcarbamoyl)benzoic acid
Traditional Name:2-[3-(4-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=NC=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCSC2=CC=NC=C2)C(=O)O


InChI

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


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