3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoic acid Openeye Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoic acid CAS Name: 3-[[3-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]benzoic acid Traditional Name: 3-[3-(1H-benzimidazol-2-ylthio)propanoylamino]benzoic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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