3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]propane-1,2-diol

Systemtic Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]propane-1,2-diol Openeye Name: 3-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]propane-1,2-diol CAS Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]propane-1,2-diol IUPAC Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]propane-1,2-diol Traditional Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]propane-1,2-diol Formula: C27H32N4O2S2 MolecularWeight: 508.69858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN(CC4=CC=CC=C4)CC(CO)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN(CC4=CC=CC=C4)CC(CO)O

InChI

InChI=1S/C27H32N4O2S2/c1-20-25(19-35-27-29-23-10-5-6-11-24(23)30-27)28-13-12-26(20)34-15-7-14-31(17-22(33)18-32)16-21-8-3-2-4-9-21/h2-6,8-13,22,32-33H,7,14-19H2,1H3,(H,29,30)