2-ethylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O3S2/c1-2-29-18-8-4-3-7-17(18)19(26)21-11-6-16-30(27,28)25-14-12-24(13-15-25)20-22-9-5-10-23-20/h3-5,7-10H,2,6,11-16H2,1H3,(H,21,26)