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

Systemtic Name: N-phenyl-2-[4-(2-propan-2-ylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: 2-[4-(2-isopropylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[oxo-[2-(propan-2-ylthio)-3-pyridinyl]methyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-[2-(isopropylthio)nicotinoyl]piperazino]-N-phenyl-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

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