N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C14H20F2N3OS2+ MolecularWeight: 348.454906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C14H19F2N3OS2/c15-13(16)22-12-3-1-11(2-4-12)17-14(21)19-7-5-18(6-8-19)9-10-20/h1-4,13,20H,5-10H2,(H,17,21)/p+1