2-[2-[3-[cyclopropyl(2-phenylethanoyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[cyclopropyl(2-phenylethanoyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[cyclopropyl-(2-phenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[cyclopropyl-(1-oxo-2-phenylethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[cyclopropyl-(2-phenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[cyclopropyl-(2-phenylacetyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c27-21(15-17-7-2-1-3-8-17)25(18-11-12-18)13-6-14-30-23-24-19-9-4-5-10-20(19)26(23)16-22(28)29/h1-5,7-10,18H,6,11-16H2,(H,28,29)