ethyl 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-2-pyridyl]methylsulfanyl]benzimidazole-1-carboxylate CAS Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]-3-methyl-2-pyridinyl]methylthio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methylpyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Traditional Name: 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylthio]-3-methyl-2-pyridyl]methylthio]benzimidazole-1-carboxylic acid ethyl ester Formula: C28H30N4O2S2 MolecularWeight: 518.6934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=NC=CC(=C3C)SCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=NC=CC(=C3C)SCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H30N4O2S2/c1-3-34-28(33)32-25-11-7-6-10-23(25)30-27(32)36-19-24-20(2)26(12-14-29-24)35-17-16-31-15-13-21-8-4-5-9-22(21)18-31/h4-12,14H,3,13,15-19H2,1-2H3