4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S/c17-10-3-6-12-13(7-10)20-16(19-12)24-8-14(21)18-11-4-1-9(2-5-11)15(22)23/h1-7H,8H2,(H,18,21)(H,19,20)(H,22,23)