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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H22F2N3S2+ MolecularWeight: 346.482086

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C15H21F2N3S2/c1-2-7-19-8-10-20(11-9-19)15(21)18-12-3-5-13(6-4-12)22-14(16)17/h3-6,14H,2,7-11H2,1H3,(H,18,21)/p+1