3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzenecarbothioamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Traditional Name: 3-(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(=C2)C(=S)N

Isomeric SMILES

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

InChI

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