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

Systemtic Name: 2-[2-[3-[phenethyl(propylcarbamoyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[phenethyl(propylcarbamoyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[[oxo(propylamino)methyl]-phenethylamino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[phenethyl(propylcarbamoyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[phenethyl(propylcarbamoyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O3S/c1-2-14-25-23(31)27(16-13-19-9-4-3-5-10-19)15-8-17-32-24-26-20-11-6-7-12-21(20)28(24)18-22(29)30/h3-7,9-12H,2,8,13-18H2,1H3,(H,25,31)(H,29,30)