ethyl 6-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]hexanoate

Systemtic Name: ethyl 6-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]hexanoate Openeye Name: ethyl 6-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]hexanoate CAS Name: 6-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]hexanoate Traditional Name: 6-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]hexanoic acid ethyl ester Formula: C32H40N4O2S2 MolecularWeight: 576.8156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCCCCN(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

InChI

InChI=1S/C32H40N4O2S2/c1-3-38-31(37)17-8-5-11-20-36(23-26-13-6-4-7-14-26)21-12-22-39-30-18-19-33-29(25(30)2)24-40-32-34-27-15-9-10-16-28(27)35-32/h4,6-7,9-10,13-16,18-19H,3,5,8,11-12,17,20-24H2,1-2H3,(H,34,35)