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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-13-25-18-12-16(5-6-19(18)29-13)26-20(28)14-7-9-27(10-8-14)17-4-2-3-15(11-17)21(22,23)24/h2-6,11-12,14H,7-10H2,1H3,(H,26,28)