2-(phenylmethylsulfanyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-benzylsulfanyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide CAS Name: 2-(phenylmethylthio)-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-benzylsulfanyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(benzylthio)-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]acetamide Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O3S2/c25-18(16-28-15-17-5-2-1-3-6-17)20-9-14-29(26,27)24-12-10-23(11-13-24)19-21-7-4-8-22-19/h1-8H,9-16H2,(H,20,25)