1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]-N-pyridin-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]-N-pyridin-2-yl-piperidine-3-carboxamide Openeye Name: 1-(2-indan-5-ylsulfanylacetyl)-N-(2-pyridyl)piperidine-3-carboxamide CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-N-(2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide Traditional Name: 1-[2-(indan-5-ylthio)acetyl]-N-(2-pyridyl)nipecotamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC3=C(CCC3)C=C2)C(=O)NC4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC3=C(CCC3)C=C2)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C22H25N3O2S/c26-21(15-28-19-10-9-16-5-3-6-17(16)13-19)25-12-4-7-18(14-25)22(27)24-20-8-1-2-11-23-20/h1-2,8-11,13,18H,3-7,12,14-15H2,(H,23,24,27)