N-[(5-methylfuran-2-yl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-1-[3-(phenylthio)pyrazin-2-yl]isonipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16-7-8-18(28-16)15-25-21(27)17-9-13-26(14-10-17)20-22(24-12-11-23-20)29-19-5-3-2-4-6-19/h2-8,11-12,17H,9-10,13-15H2,1H3,(H,25,27)