N-[(4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H21FN3S2+ MolecularWeight: 350.497143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN3S2/c18-15-5-3-14(4-6-15)12-19-17(22)21-9-7-20(8-10-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)/p+1