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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[2-(trifluoromethyl)phenyl]carbonyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide Formula: C20H17F3N4O2S MolecularWeight: 434.43479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17F3N4O2S/c21-20(22,23)14-6-2-1-5-13(14)17(28)26-9-11-27(12-10-26)19(29)25-18-24-15-7-3-4-8-16(15)30-18/h1-8H,9-12H2,(H,24,25,29)