N-(3-ethoxypropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-ethoxypropyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1CCCN(C1)C2=NC=CN=C2SC3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=O)C1CCCN(C1)C2=NC=CN=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-2-27-15-7-11-23-20(26)17-8-6-14-25(16-17)19-21(24-13-12-22-19)28-18-9-4-3-5-10-18/h3-5,9-10,12-13,17H,2,6-8,11,14-16H2,1H3,(H,23,26)