1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridine-3-carbonyl)-4-piperidyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-3-[1-[2-(methylthio)nicotinoyl]-4-piperidyl]propan-1-one Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H32N4O2S/c1-3-23-13-15-24(16-14-23)19(26)7-6-17-8-11-25(12-9-17)21(27)18-5-4-10-22-20(18)28-2/h4-5,10,17H,3,6-9,11-16H2,1-2H3