4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzenecarbothioamide IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylthiobenzamide Formula: C13H20N3O2S2+ MolecularWeight: 314.4468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S2/c1-2-15-7-9-16(10-8-15)20(17,18)12-5-3-11(4-6-12)13(14)19/h3-6H,2,7-10H2,1H3,(H2,14,19)/p+1