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

Systemtic Name: N-(furan-2-ylmethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(2-furylmethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(2-furanylmethyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-furfuryl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H22N4O2S/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/h1-3,5,7-11,13,16H,4,6,12,14-15H2,(H,24,26)