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

Systemtic Name: methyl 2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfanyl]-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H28N4O2S2 MolecularWeight: 504.66682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=O)OC)SCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=O)OC)SCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H28N4O2S2/c1-19-23(18-35-26-29-22-9-5-6-10-24(22)31(26)27(32)33-2)28-13-11-25(19)34-16-15-30-14-12-20-7-3-4-8-21(20)17-30/h3-11,13H,12,14-18H2,1-2H3