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

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C15H19BrN3OS2+ MolecularWeight: 401.36486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C15H18BrN3OS2/c16-14-4-3-13(22-14)11-18-5-7-19(8-6-18)15(21)17-10-12-2-1-9-20-12/h1-4,9H,5-8,10-11H2,(H,17,21)/p+1