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

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-[4-(difluoromethylthio)phenyl]piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3S2+ MolecularWeight: 394.524886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C19H21F2N3S2/c20-18(21)26-17-8-6-16(7-9-17)22-19(25)24-12-10-23(11-13-24)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,22,25)/p+1