N-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-thienylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-thenyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C17H18F3N3O2S3 MolecularWeight: 449.53393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S3/c18-17(19,20)13-3-1-5-15(11-13)28(24,25)23-8-6-22(7-9-23)16(26)21-12-14-4-2-10-27-14/h1-5,10-11H,6-9,12H2,(H,21,26)