N-(2-phenylsulfanylethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-phenylsulfanylethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-phenylsulfanylethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-(phenylthio)ethyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[2-(phenylthio)ethyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H21N5S2 MolecularWeight: 359.51214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S2/c23-17(20-9-14-24-15-5-2-1-3-6-15)22-12-10-21(11-13-22)16-18-7-4-8-19-16/h1-8H,9-14H2,(H,20,23)