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

Systemtic Name: 1-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[(2,5-dimethoxyphenyl)thio]nicotinoyl]piperazino]ethanone Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H23N3O4S/c1-14(24)22-9-11-23(12-10-22)20(25)16-5-4-8-21-19(16)28-18-13-15(26-2)6-7-17(18)27-3/h4-8,13H,9-12H2,1-3H3