methyl 2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate

Systemtic Name: methyl 2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: methyl 2-[[3-methyl-4-(2-morpholinoethylsulfanyl)-2-pyridyl]methylsulfanyl]benzimidazole-1-carboxylate CAS Name: 2-[[3-methyl-4-[2-(4-morpholinyl)ethylthio]-2-pyridinyl]methylthio]-1-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Traditional Name: 2-[[3-methyl-4-(2-morpholinoethylthio)-2-pyridyl]methylthio]benzimidazole-1-carboxylic acid methyl ester Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=O)OC)SCCN4CCOCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C(=O)OC)SCCN4CCOCC4

InChI

InChI=1S/C22H26N4O3S2/c1-16-18(23-8-7-20(16)30-14-11-25-9-12-29-13-10-25)15-31-21-24-17-5-3-4-6-19(17)26(21)22(27)28-2/h3-8H,9-15H2,1-2H3