N-(3-morpholin-4-ylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-morpholinopropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-morpholinopropyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C23H31N5O2S/c29-22(25-9-5-12-27-14-16-30-17-15-27)19-6-4-13-28(18-19)21-23(26-11-10-24-21)31-20-7-2-1-3-8-20/h1-3,7-8,10-11,19H,4-6,9,12-18H2,(H,25,29)