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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H20ClN5S MolecularWeight: 361.8922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5S/c18-15-4-2-14(3-5-15)6-9-21-17(24)23-12-10-22(11-13-23)16-19-7-1-8-20-16/h1-5,7-8H,6,9-13H2,(H,21,24)