N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C21H21F3N4O3S MolecularWeight: 466.47665

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)OC

InChI

InChI=1S/C21H21F3N4O3S/c1-30-15-9-14-17(10-16(15)31-2)32-20(26-14)27-19(29)12-5-7-28(8-6-12)18-4-3-13(11-25-18)21(22,23)24/h3-4,9-12H,5-8H2,1-2H3,(H,26,27,29)