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

Systemtic Name: S-[2-[2-(1-adamantyl)ethyl-(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-(1-adamantyl)ethyl-(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(1-adamantyl)ethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-(1-adamantyl)ethyl-(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(1-adamantyl)ethyl-(4-pyridylmethylcarbamoyl)amino]ethyl] ester Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C23H33N3O2S/c1-17(27)29-9-8-26(22(28)25-16-18-2-5-24-6-3-18)7-4-23-13-19-10-20(14-23)12-21(11-19)15-23/h2-3,5-6,19-21H,4,7-16H2,1H3,(H,25,28)