2-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide CAS Name: 2-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[2-(phenylthio)nicotinoyl]piperazino]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-16(2)23-19(26)15-24-11-13-25(14-12-24)21(27)18-9-6-10-22-20(18)28-17-7-4-3-5-8-17/h3-10,16H,11-15H2,1-2H3,(H,23,26)