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

Systemtic Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]butan-1-ol Openeye Name: 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]butan-1-ol CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]-1-butanol IUPAC Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]butan-1-ol Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]butan-1-ol Formula: C27H32N4OS2 MolecularWeight: 492.69918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4OS2/c1-21-25(20-34-27-29-23-11-5-6-12-24(23)30-27)28-14-13-26(21)33-18-16-31(15-7-8-17-32)19-22-9-3-2-4-10-22/h2-6,9-14,32H,7-8,15-20H2,1H3,(H,29,30)