N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(trifluoromethyl)benzoyl]isonipecotamide Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c1-13-2-7-17-18(12-13)31-21(26-17)27-19(29)14-8-10-28(11-9-14)20(30)15-3-5-16(6-4-15)22(23,24)25/h2-7,12,14H,8-11H2,1H3,(H,26,27,29)