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

Systemtic Name: S-[2-[2-cyclopentylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride Openeye Name: S-[2-[2-cyclopentylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride CAS Name: ethanethioic acid S-[2-[2-cyclopentylethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester hydrochloride IUPAC Name: S-[2-[2-cyclopentylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride Traditional Name: ethanethioic acid S-[2-[2-cyclopentylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester hydrochloride Formula: C18H28ClN3O2S MolecularWeight: 385.95182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCC1)C(=O)NCC2=CC=NC=C2.Cl

Isomeric SMILES

CC(=O)SCCN(CCC1CCCC1)C(=O)NCC2=CC=NC=C2.Cl

InChI

InChI=1S/C18H27N3O2S.ClH/c1-15(22)24-13-12-21(11-8-16-4-2-3-5-16)18(23)20-14-17-6-9-19-10-7-17;/h6-7,9-10,16H,2-5,8,11-14H2,1H3,(H,20,23);1H