2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]piperazino]-1-piperidino-ethanone Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C25H32N4O2S/c1-19-8-9-20(2)22(17-19)32-24-21(7-6-10-26-24)25(31)29-15-13-27(14-16-29)18-23(30)28-11-4-3-5-12-28/h6-10,17H,3-5,11-16,18H2,1-2H3