ethanedioic acid; 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: ethanedioic acid; 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide; oxalic acid CAS Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide; oxalic acid IUPAC Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide; oxalic acid Traditional Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide; oxalic acid Formula: C16H20F3N3O5S MolecularWeight: 423.40731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=S)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCO)C(=S)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18F3N3OS.C2H2O4/c15-14(16,17)11-2-1-3-12(10-11)18-13(22)20-6-4-19(5-7-20)8-9-21;3-1(4)2(5)6/h1-3,10,21H,4-9H2,(H,18,22);(H,3,4)(H,5,6)