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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC2=C1C=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=NSC2=C1C=C(C=C2)NC(=O)C3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-13-18-12-16(5-6-19(18)29-26-13)25-20(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,25,28)