N-[(2S)-2-ethylhexyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C21H33N3O2S2 MolecularWeight: 423.63562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H33N3O2S2/c1-3-5-9-19(4-2)18-22-21(27)23-13-15-24(16-14-23)28(25,26)17-12-20-10-7-6-8-11-20/h6-8,10-12,17,19H,3-5,9,13-16,18H2,1-2H3,(H,22,27)/b17-12+/t19-/m0/s1