N-(3-propylsulfanylpropyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-propylsulfanylpropyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-propylsulfanylpropyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide CAS Name: N-[3-(propylthio)propyl]-1-[3-(trifluoromethyl)-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-propylsulfanylpropyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Traditional Name: N-[3-(propylthio)propyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]isonipecotamide Formula: C21H27F3N4OS MolecularWeight: 440.52549

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(F)(F)F

Isomeric SMILES

CCCSCCCNC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(F)(F)F

InChI

InChI=1S/C21H27F3N4OS/c1-2-13-30-14-5-10-25-20(29)15-8-11-28(12-9-15)19-18(21(22,23)24)26-16-6-3-4-7-17(16)27-19/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,25,29)