S-methyl 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethanethioate

Systemtic Name: S-methyl 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]ethanethioate Openeye Name: S-methyl 2-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]ethanethioate CAS Name: 2-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]ethanethioic acid S-methyl ester IUPAC Name: S-methyl 2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]ethanethioate Traditional Name: 2-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]ethanethioic acid S-methyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CSC(=O)CC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N3O2S/c1-26-20(25)14-16-2-4-17(5-3-16)19(24)15-22-10-12-23(13-11-22)18-6-8-21-9-7-18/h2-9H,10-15H2,1H3