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

Systemtic Name: N-(oxolan-2-ylmethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: 1-(3-phenylsulfanylpyrazin-2-yl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-3-carboxamide CAS Name: N-(2-oxolanylmethyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: 1-[3-(phenylthio)pyrazin-2-yl]-N-(tetrahydrofurfuryl)nipecotamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4CCCO4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4CCCO4

InChI

InChI=1S/C21H26N4O2S/c26-20(24-14-17-7-5-13-27-17)16-6-4-12-25(15-16)19-21(23-11-10-22-19)28-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2,(H,24,26)