S-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] benzenecarbothioate

Systemtic Name: S-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] benzenecarbothioate Openeye Name: S-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: S-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC(=O)C2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCSC(=O)C2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4OS/c22-16(15-5-2-1-3-6-15)23-14-13-20-9-11-21(12-10-20)17-18-7-4-8-19-17/h1-8H,9-14H2