N-propan-2-yl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-propan-2-yl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-isopropyl-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: 2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-isopropyl-2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O2S/c1-15(2)23-18(26)14-28-17-7-4-3-6-16(17)19(27)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h3-9,15H,10-14H2,1-2H3,(H,23,26)