S-[2-[2-piperidin-1-ylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-piperidin-1-ylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-(1-piperidyl)ethyl-(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-(pyridin-4-ylmethylamino)methyl]-[2-(1-piperidinyl)ethyl]amino]ethyl] ester IUPAC Name: S-[2-[2-piperidin-1-ylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-piperidinoethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCN1CCCCC1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCN1CCCCC1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C18H28N4O2S/c1-16(23)25-14-13-22(12-11-21-9-3-2-4-10-21)18(24)20-15-17-5-7-19-8-6-17/h5-8H,2-4,9-15H2,1H3,(H,20,24)