N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H20ClN5S2 MolecularWeight: 393.9572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5S2/c18-14-2-4-15(5-3-14)25-13-8-21-17(24)23-11-9-22(10-12-23)16-19-6-1-7-20-16/h1-7H,8-13H2,(H,21,24)