2-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethylcarbamoyl)benzoic acid dihydrochloride

Systemtic Name: 2-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethylcarbamoyl)benzoic acid dihydrochloride Openeye Name: 2-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethylcarbamoyl)benzoic acid dihydrochloride CAS Name: 2-[[2-(5-imidazo[1,2-a]pyridinylthio)ethylamino]-oxomethyl]benzoic acid dihydrochloride IUPAC Name: 2-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethylcarbamoyl)benzoic acid dihydrochloride Traditional Name: 2-[2-(imidazo[1,2-a]pyridin-5-ylthio)ethylcarbamoyl]benzoic acid dihydrochloride Formula: C17H17Cl2N3O3S MolecularWeight: 414.30618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCSC2=CC=CC3=NC=CN32)C(=O)O.Cl.Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCSC2=CC=CC3=NC=CN32)C(=O)O.Cl.Cl

InChI

InChI=1S/C17H15N3O3S.2ClH/c21-16(12-4-1-2-5-13(12)17(22)23)19-9-11-24-15-7-3-6-14-18-8-10-20(14)15;;/h1-8,10H,9,11H2,(H,19,21)(H,22,23);2*1H