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

Systemtic Name: S-[2-[2-cycloheptylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride Openeye Name: S-[2-[2-cycloheptylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride CAS Name: ethanethioic acid S-[2-[2-cycloheptylethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester hydrochloride IUPAC Name: S-[2-[2-cycloheptylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride Traditional Name: ethanethioic acid S-[2-[2-cycloheptylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester hydrochloride Formula: C20H32ClN3O2S MolecularWeight: 414.00498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S.ClH/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);1H