2-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylthio]-1-benzimidazolyl]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[2-[2-(3,4-dimethylphenoxy)ethylthio]benzimidazol-1-yl]-1-(4-methylpiperidino)ethanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCCOC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCCOC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H31N3O2S/c1-18-10-12-27(13-11-18)24(29)17-28-23-7-5-4-6-22(23)26-25(28)31-15-14-30-21-9-8-19(2)20(3)16-21/h4-9,16,18H,10-15,17H2,1-3H3