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

Systemtic Name: 2-[2-[3-[cyclopropyl(pentanoyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[cyclopropyl(pentanoyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[cyclopropyl(1-oxopentyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[cyclopropyl(pentanoyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[cyclopropyl(valeryl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3CC3

Isomeric SMILES

CCCCC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3CC3

InChI

InChI=1S/C20H27N3O3S/c1-2-3-9-18(24)22(15-10-11-15)12-6-13-27-20-21-16-7-4-5-8-17(16)23(20)14-19(25)26/h4-5,7-8,15H,2-3,6,9-14H2,1H3,(H,25,26)