2-[2-[3-[butoxycarbonyl(cyclohexyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[butoxycarbonyl(cyclohexyl)amino]propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[butoxycarbonyl(cyclohexyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-[[butoxy(oxo)methyl]-cyclohexylamino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[butoxycarbonyl(cyclohexyl)amino]propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[butoxycarbonyl(cyclohexyl)amino]propylthio]benzimidazol-1-yl]acetic acid Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3CCCCC3

Isomeric SMILES

CCCCOC(=O)N(CCCSC1=NC2=CC=CC=C2N1CC(=O)O)C3CCCCC3

InChI

InChI=1S/C23H33N3O4S/c1-2-3-15-30-23(29)25(18-10-5-4-6-11-18)14-9-16-31-22-24-19-12-7-8-13-20(19)26(22)17-21(27)28/h7-8,12-13,18H,2-6,9-11,14-17H2,1H3,(H,27,28)