S-[3-oxidanylidene-2-(phenylmethyl)-3-(2-piperidin-1-ylethylamino)propyl] ethanethioate

Systemtic Name: S-[3-oxidanylidene-2-(phenylmethyl)-3-(2-piperidin-1-ylethylamino)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-oxo-3-[2-(1-piperidyl)ethylamino]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-oxo-2-(phenylmethyl)-3-[2-(1-piperidinyl)ethylamino]propyl] ester IUPAC Name: S-[2-benzyl-3-oxo-3-(2-piperidin-1-ylethylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-(2-piperidinoethylamino)propyl] ester Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCN2CCCCC2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCCN2CCCCC2

InChI

InChI=1S/C19H28N2O2S/c1-16(22)24-15-18(14-17-8-4-2-5-9-17)19(23)20-10-13-21-11-6-3-7-12-21/h2,4-5,8-9,18H,3,6-7,10-15H2,1H3,(H,20,23)