2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzenecarbothioamide IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)sulfonylthiobenzamide Formula: C12H18N3O2S2+ MolecularWeight: 300.42022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=S)N

InChI

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