N-[2,6-di(propan-2-yl)phenyl]-2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexylsulfanyl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexylsulfanyl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexylsulfanyl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[6-[4-(2-pyrimidinyl)-1-piperazinyl]hexylthio]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)hexylsulfanyl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[6-[4-(2-pyrimidyl)piperazino]hexylthio]acetamide Formula: C28H43N5OS MolecularWeight: 497.73892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSCCCCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSCCCCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C28H43N5OS/c1-22(2)24-11-9-12-25(23(3)4)27(24)31-26(34)21-35-20-8-6-5-7-15-32-16-18-33(19-17-32)28-29-13-10-14-30-28/h9-14,22-23H,5-8,15-21H2,1-4H3,(H,31,34)