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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C17H29N4O2S2+ MolecularWeight: 385.56776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC[NH+](C)C)C

InChI

InChI=1S/C17H28N4O2S2/c1-14-5-6-16(13-15(14)2)25(22,23)21-11-9-20(10-12-21)17(24)18-7-8-19(3)4/h5-6,13H,7-12H2,1-4H3,(H,18,24)/p+1