2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]-1-(2-piperidin-1-ylethyl)benzimidazole

Systemtic Name: 2-[(4-ethylsulfanyl-3-methyl-pyridin-2-yl)methylsulfinyl]-1-(2-piperidin-1-ylethyl)benzimidazole Openeye Name: 2-[(4-ethylsulfanyl-3-methyl-2-pyridyl)methylsulfinyl]-1-[2-(1-piperidyl)ethyl]benzimidazole CAS Name: 2-[[4-(ethylthio)-3-methyl-2-pyridinyl]methylsulfinyl]-1-[2-(1-piperidinyl)ethyl]benzimidazole IUPAC Name: 2-[(4-ethylsulfanyl-3-methylpyridin-2-yl)methylsulfinyl]-1-(2-piperidin-1-ylethyl)benzimidazole Traditional Name: 2-[[4-(ethylthio)-3-methyl-2-pyridyl]methylsulfinyl]-1-(2-piperidinoethyl)benzimidazole Formula: C23H30N4OS2 MolecularWeight: 442.6405

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2CCN4CCCCC4)C

Isomeric SMILES

CCSC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3N2CCN4CCCCC4)C

InChI

InChI=1S/C23H30N4OS2/c1-3-29-22-11-12-24-20(18(22)2)17-30(28)23-25-19-9-5-6-10-21(19)27(23)16-15-26-13-7-4-8-14-26/h5-6,9-12H,3-4,7-8,13-17H2,1-2H3