5-bromanyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-bromo-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-2-furamide Formula: C12H17BrN3O3S+ MolecularWeight: 363.25068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C12H16BrN3O3S/c13-10-2-1-9(19-10)11(18)14-12(20)16-5-3-15(4-6-16)7-8-17/h1-2,17H,3-8H2,(H,14,18,20)/p+1