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

Systemtic Name: 2-[2-[3-[2,2-diphenylethanoyl-(phenylmethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzyl-(2,2-diphenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[(1-oxo-2,2-diphenylethyl)-(phenylmethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzyl-(2,2-diphenylacetyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[benzyl-(2,2-diphenylacetyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C33H31N3O3S MolecularWeight: 549.68254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCSC2=NC3=CC=CC=C3N2CC(=O)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O3S/c37-30(38)24-36-29-20-11-10-19-28(29)34-33(36)40-22-12-21-35(23-25-13-4-1-5-14-25)32(39)31(26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-11,13-20,31H,12,21-24H2,(H,37,38)