2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H29N4O4S2+ MolecularWeight: 417.56656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H28N4O4S2/c1-19(2)8-7-18-17(26)20-9-11-21(12-10-20)27(22,23)14-5-6-15(24-3)16(13-14)25-4/h5-6,13H,7-12H2,1-4H3,(H,18,26)/p+1