4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3S/c20-14(17-11-7-5-10(6-8-11)15(21)22)9-23-16-18-12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,17,20)(H,18,19)(H,21,22)