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

Systemtic Name: S-[2-[phenethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride Openeye Name: S-[2-[phenethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride CAS Name: ethanethioic acid S-[2-[[oxo-(pyridin-4-ylmethylamino)methyl]-phenethylamino]ethyl] ester hydrochloride IUPAC Name: S-[2-[phenethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate hydrochloride Traditional Name: ethanethioic acid S-[2-[phenethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester hydrochloride Formula: C19H24ClN3O2S MolecularWeight: 393.93076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCC2=CC=NC=C2.Cl

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCC2=CC=NC=C2.Cl

InChI

InChI=1S/C19H23N3O2S.ClH/c1-16(23)25-14-13-22(12-9-17-5-3-2-4-6-17)19(24)21-15-18-7-10-20-11-8-18;/h2-8,10-11H,9,12-15H2,1H3,(H,21,24);1H