2-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(4-acetylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(4-acetylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-acetylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H26N4O3S2/c1-14(22)15-4-6-16(7-5-15)26(23,24)21-12-10-20(11-13-21)17(25)18-8-9-19(2)3/h4-7H,8-13H2,1-3H3,(H,18,25)/p+1