3-[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: dimethyl-[3-[[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazine-1-carbothioyl]amino]propyl]ammonium CAS Name: 3-[[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazine-1-carbothioyl]amino]propyl]ammonium Formula: C20H35N4O2S2+ MolecularWeight: 427.6475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C20H34N4O2S2/c1-5-17(2)18-7-9-19(10-8-18)28(25,26)24-15-13-23(14-16-24)20(27)21-11-6-12-22(3)4/h7-10,17H,5-6,11-16H2,1-4H3,(H,21,27)/p+1/t17-/m0/s1