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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[4-(trifluoromethyl)benzyl]piperazine-1-carboxamide Formula: C21H21F3N4OS MolecularWeight: 434.47785

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)NCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)NCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4OS/c22-21(23,24)16-7-5-15(6-8-16)13-25-20(29)28-11-9-27(10-12-28)14-19-26-17-3-1-2-4-18(17)30-19/h1-8H,9-14H2,(H,25,29)