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

Systemtic Name: 2-[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: dimethyl-[2-[[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazine-1-carbothioyl]amino]ethyl]ammonium CAS Name: 2-[[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazine-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazine-1-carbothioyl]amino]ethyl]ammonium Formula: C19H33N4O2S2+ MolecularWeight: 413.62092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O2S2/c1-5-16(2)17-6-8-18(9-7-17)27(24,25)23-14-12-22(13-15-23)19(26)20-10-11-21(3)4/h6-9,16H,5,10-15H2,1-4H3,(H,20,26)/p+1/t16-/m0/s1