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

Systemtic Name: N-cyclohexyl-N-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-N-methyl-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-cyclohexyl-N-methyl-2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-cyclohexyl-N-methyl-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-cyclohexyl-N-methyl-2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H31N5O2S/c1-27(19-8-3-2-4-9-19)22(30)18-32-21-11-6-5-10-20(21)23(31)28-14-16-29(17-15-28)24-25-12-7-13-26-24/h5-7,10-13,19H,2-4,8-9,14-18H2,1H3