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

Systemtic Name: 2-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(2,5-dimethoxyphenyl)thio]nicotinoyl]piperazino]-1-pyrrolidino-ethanone Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H30N4O4S/c1-31-18-7-8-20(32-2)21(16-18)33-23-19(6-5-9-25-23)24(30)28-14-12-26(13-15-28)17-22(29)27-10-3-4-11-27/h5-9,16H,3-4,10-15,17H2,1-2H3