N-(3-fluoranyl-4-methyl-phenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-thenyl)piperazin-4-ium-1-carbothioamide Formula: C17H21FN3S2+ MolecularWeight: 350.497143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CS3)F

InChI

InChI=1S/C17H20FN3S2/c1-13-4-5-14(11-16(13)18)19-17(22)21-8-6-20(7-9-21)12-15-3-2-10-23-15/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)/p+1