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

Systemtic Name: N-(2-morpholin-4-ylethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(2-morpholinoethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(4-morpholinyl)ethyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2-morpholin-4-ylethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-morpholinoethyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C22H29N5O2S/c28-21(24-10-12-26-13-15-29-16-14-26)18-5-4-11-27(17-18)20-22(25-9-8-23-20)30-19-6-2-1-3-7-19/h1-3,6-9,18H,4-5,10-17H2,(H,24,28)