4-methyl-N-(phenylsulfonyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-(phenylsulfonyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(benzenesulfonyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(benzenesulfonyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(benzenesulfonyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-besyl-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H18N3O2S2+ MolecularWeight: 300.42022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S2/c1-14-7-9-15(10-8-14)12(18)13-19(16,17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,18)/p+1