4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]carbonyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(trifluoromethyl)benzoyl]piperazine-2-carboxamide Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21F3N4O2S/c1-26-20(30)17-12-28(13-19-27-16-7-2-3-8-18(16)32-19)9-10-29(17)21(31)14-5-4-6-15(11-14)22(23,24)25/h2-8,11,17H,9-10,12-13H2,1H3,(H,26,30)