N-(1,3-benzothiazol-2-ylmethyl)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-methyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methyl-isonipecotamide Formula: C21H20ClF3N4OS MolecularWeight: 468.92291

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H20ClF3N4OS/c1-28(12-18-27-16-4-2-3-5-17(16)31-18)20(30)13-6-8-29(9-7-13)19-15(22)10-14(11-26-19)21(23,24)25/h2-5,10-11,13H,6-9,12H2,1H3