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

Systemtic Name: 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(phenylmethyl)amino]butan-1-ol Openeye Name: 4-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-benzyl-amino]butan-1-ol CAS Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(phenylmethyl)amino]-1-butanol IUPAC Name: 4-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-benzylamino]butan-1-ol Traditional Name: 4-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-benzyl-amino]butan-1-ol Formula: C28H34N4OS2 MolecularWeight: 506.72576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4OS2/c1-22-26(21-35-28-30-24-12-5-6-13-25(24)31-28)29-15-14-27(22)34-19-9-17-32(16-7-8-18-33)20-23-10-3-2-4-11-23/h2-6,10-15,33H,7-9,16-21H2,1H3,(H,30,31)