2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethanethioic S-acid

Systemtic Name: 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethanethioic S-acid Openeye Name: 2-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]ethanethioic S-acid CAS Name: 2-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]ethanethioic S-acid IUPAC Name: 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]ethanethioic S-acid Traditional Name: 2-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]thioacetic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)CC(=O)S)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)CC(=O)S)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O2S/c23-18(16-3-1-15(2-4-16)13-19(24)25)14-21-9-11-22(12-10-21)17-5-7-20-8-6-17/h1-8H,9-14H2,(H,24,25)