4-[bis(4-fluorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-ethyl-piperazin-4-ium-1-carbothioamide Formula: C20H24F2N3S+ MolecularWeight: 376.486466

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23F2N3S/c1-2-23-20(26)25-13-11-24(12-14-25)19(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,19H,2,11-14H2,1H3,(H,23,26)/p+1