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

Systemtic Name: N-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C17H18F3N3O3S2 MolecularWeight: 433.46833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3S2/c18-17(19,20)13-3-1-5-15(11-13)28(24,25)23-8-6-22(7-9-23)16(27)21-12-14-4-2-10-26-14/h1-5,10-11H,6-9,12H2,(H,21,27)