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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-butyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-butylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide Formula: C14H23BrN3S2+ MolecularWeight: 377.38652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

CCCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C14H22BrN3S2/c1-2-3-6-16-14(19)18-9-7-17(8-10-18)11-12-4-5-13(15)20-12/h4-5H,2-3,6-11H2,1H3,(H,16,19)/p+1