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

Systemtic Name: 2-[2-[3-[phenethyl(2-phenylethanoyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[phenethyl-(2-phenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[(1-oxo-2-phenylethyl)-phenethylamino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[phenethyl-(2-phenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[phenethyl-(2-phenylacetyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c32-26(20-23-12-5-2-6-13-23)30(18-16-22-10-3-1-4-11-22)17-9-19-35-28-29-24-14-7-8-15-25(24)31(28)21-27(33)34/h1-8,10-15H,9,16-21H2,(H,33,34)