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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C21H20F3N5O2S MolecularWeight: 463.47601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O2S/c1-12(30)26-15-3-4-16-17(10-15)32-20(27-16)28-19(31)13-6-8-29(9-7-13)18-5-2-14(11-25-18)21(22,23)24/h2-5,10-11,13H,6-9H2,1H3,(H,26,30)(H,27,28,31)