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

Systemtic Name: 2-[2-[3-[2-phenylethanoyl-(phenylmethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzyl-(2-phenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[(1-oxo-2-phenylethyl)-(phenylmethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzyl-(2-phenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[benzyl-(2-phenylacetyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c31-25(18-21-10-3-1-4-11-21)29(19-22-12-5-2-6-13-22)16-9-17-34-27-28-23-14-7-8-15-24(23)30(27)20-26(32)33/h1-8,10-15H,9,16-20H2,(H,32,33)