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

Systemtic Name: S-[2-[2-cycloheptylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cycloheptylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cycloheptylethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cycloheptylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cycloheptylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCCC1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCCC1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C20H31N3O2S/c1-17(24)26-15-14-23(13-10-18-6-4-2-3-5-7-18)20(25)22-16-19-8-11-21-12-9-19/h8-9,11-12,18H,2-7,10,13-16H2,1H3,(H,22,25)