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

Systemtic Name: ethyl 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]butanoate Openeye Name: ethyl 4-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]butanoate CAS Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]butanoate Traditional Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]butyric acid ethyl ester Formula: C30H36N4O2S2 MolecularWeight: 548.76244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O2S2/c1-3-36-29(35)15-9-18-34(21-24-11-5-4-6-12-24)19-10-20-37-28-16-17-31-27(23(28)2)22-38-30-32-25-13-7-8-14-26(25)33-30/h4-8,11-14,16-17H,3,9-10,15,18-22H2,1-2H3,(H,32,33)