dimethyl-[3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]carbothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-[(E)-styryl]sulfonylpiperazine-1-carbothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[4-[(E)-styryl]sulfonylpiperazine-1-carbothioyl]amino]propyl]ammonium Formula: C18H29N4O2S2+ MolecularWeight: 397.57846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2S2/c1-20(2)11-6-10-19-18(25)21-12-14-22(15-13-21)26(23,24)16-9-17-7-4-3-5-8-17/h3-5,7-9,16H,6,10-15H2,1-2H3,(H,19,25)/p+1/b16-9+