N-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-fluorophenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C16H19FN3S2+ MolecularWeight: 336.470563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3S2/c17-14-1-3-15(4-2-14)18-16(21)20-8-6-19(7-9-20)11-13-5-10-22-12-13/h1-5,10,12H,6-9,11H2,(H,18,21)/p+1