1-(3-phenylsulfanylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-[3-(phenylthio)-2-pyrazinyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-[3-(phenylthio)pyrazin-2-yl]-N-(2-pyridylmethyl)nipecotamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H23N5OS/c28-21(26-15-18-8-4-5-11-23-18)17-7-6-14-27(16-17)20-22(25-13-12-24-20)29-19-9-2-1-3-10-19/h1-5,8-13,17H,6-7,14-16H2,(H,26,28)