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

Systemtic Name: 2-methylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2-methylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2-(methylthio)-N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2-(methylthio)-N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]benzamide Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O3S2/c1-28-17-7-3-2-6-16(17)18(25)20-10-5-15-29(26,27)24-13-11-23(12-14-24)19-21-8-4-9-22-19/h2-4,6-9H,5,10-15H2,1H3,(H,20,25)