5-chloranyl-2-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]benzoic acid Openeye Name: 5-chloro-2-[2-(2-thioxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]benzoic acid CAS Name: 5-chloro-2-[oxo-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]benzoic acid IUPAC Name: 5-chloro-2-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]benzoic acid Traditional Name: 5-chloro-2-[2-(2-thioxo-1,3-dihydrobenzimidazol-5-yl)ethylcarbamoyl]benzoic acid Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCNC(=O)C3=C(C=C(C=C3)Cl)C(=O)O)NC(=S)N2

Isomeric SMILES

C1=CC2=C(C=C1CCNC(=O)C3=C(C=C(C=C3)Cl)C(=O)O)NC(=S)N2

InChI

InChI=1S/C17H14ClN3O3S/c18-10-2-3-11(12(8-10)16(23)24)15(22)19-6-5-9-1-4-13-14(7-9)21-17(25)20-13/h1-4,7-8H,5-6H2,(H,19,22)(H,23,24)(H2,20,21,25)