N,N-diethyl-2-[4-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[2-(4-methylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[2-(p-tolylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[2-[(4-methylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[2-(4-methylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[2-(p-tolylthio)nicotinoyl]piperazino]acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C23H30N4O2S/c1-4-26(5-2)21(28)17-25-13-15-27(16-14-25)23(29)20-7-6-12-24-22(20)30-19-10-8-18(3)9-11-19/h6-12H,4-5,13-17H2,1-3H3