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

Systemtic Name: 2-[2-[3-[pentanoyl-(phenylmethyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[benzyl(pentanoyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[1-oxopentyl-(phenylmethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[benzyl(pentanoyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[benzyl(valeryl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3S/c1-2-3-14-22(28)26(17-19-10-5-4-6-11-19)15-9-16-31-24-25-20-12-7-8-13-21(20)27(24)18-23(29)30/h4-8,10-13H,2-3,9,14-18H2,1H3,(H,29,30)