4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]butanoic acid

Systemtic Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethylamino]butanoic acid Openeye Name: 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethylamino]butanoic acid CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethylamino]butanoic acid IUPAC Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethylamino]butanoic acid Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethylamino]butyric acid Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCNCCCC(=O)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCNCCCC(=O)O

InChI

InChI=1S/C20H24N4O2S2/c1-14-17(13-28-20-23-15-5-2-3-6-16(15)24-20)22-10-8-18(14)27-12-11-21-9-4-7-19(25)26/h2-3,5-6,8,10,21H,4,7,9,11-13H2,1H3,(H,23,24)(H,25,26)