4-[[3-[[(4-carboxyphenyl)amino]methyl]-5-chloranyl-2-sulfanylidene-benzimidazol-1-yl]methylamino]benzoic acid

Systemtic Name: 4-[[3-[[(4-carboxyphenyl)amino]methyl]-5-chloranyl-2-sulfanylidene-benzimidazol-1-yl]methylamino]benzoic acid Openeye Name: 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-thioxo-benzimidazol-1-yl]methylamino]benzoic acid CAS Name: 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-sulfanylidene-1-benzimidazolyl]methylamino]benzoic acid IUPAC Name: 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoic acid Traditional Name: 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-thioxo-benzimidazol-1-yl]methylamino]benzoic acid Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCN2C3=C(C=C(C=C3)Cl)N(C2=S)CNC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCN2C3=C(C=C(C=C3)Cl)N(C2=S)CNC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H19ClN4O4S/c24-16-5-10-19-20(11-16)28(13-26-18-8-3-15(4-9-18)22(31)32)23(33)27(19)12-25-17-6-1-14(2-7-17)21(29)30/h1-11,25-26H,12-13H2,(H,29,30)(H,31,32)