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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H20BrN3S2/c18-16-7-6-15(23-16)13-20-8-10-21(11-9-20)17(22)19-12-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22)/p+1