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

Systemtic Name: ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]acetate CAS Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]acetate Traditional Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]acetic acid ethyl ester Formula: C28H32N4O2S2 MolecularWeight: 520.70928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O2S2/c1-3-34-27(33)19-32(18-22-10-5-4-6-11-22)16-9-17-35-26-14-15-29-25(21(26)2)20-36-28-30-23-12-7-8-13-24(23)31-28/h4-8,10-15H,3,9,16-20H2,1-2H3,(H,30,31)