4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-[4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)14-5-7-15(8-6-14)25-20(31)27-11-9-26(10-12-27)19(28)18-13-29-16-3-1-2-4-17(16)30-18/h1-8,18H,9-13H2,(H,25,31)