4-[(5-bromanylthiophen-2-yl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-(p-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(p-tolyl)piperazin-4-ium-1-carbothioamide Formula: C17H21BrN3S2+ MolecularWeight: 411.40274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H20BrN3S2/c1-13-2-4-14(5-3-13)19-17(22)21-10-8-20(9-11-21)12-15-6-7-16(18)23-15/h2-7H,8-12H2,1H3,(H,19,22)/p+1