N-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide Openeye Name: N-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide CAS Name: N-(4-bromophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-sulfanylideneacetamide IUPAC Name: N-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide Traditional Name: N-(4-bromophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide Formula: C13H17BrN3OS+ MolecularWeight: 343.26258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3OS/c1-16-6-8-17(9-7-16)13(19)12(18)15-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H,15,18)/p+1