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N-[(2S)-2-ethylhexyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide

N-[(2S)-2-ethylhexyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name:N-[(2S)-2-ethylhexyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide
Openeye Name:4-(benzenesulfonyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide
CAS Name:4-(benzenesulfonyl)-N-[(2S)-2-ethylhexyl]-1-piperazinecarbothioamide
IUPAC Name:4-(benzenesulfonyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide
Traditional Name:4-besyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide
Formula: C19H31N3O2S2
MolecularWeight: 397.59834
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H31N3O2S2/c1-3-5-9-17(4-2)16-20-19(25)21-12-14-22(15-13-21)26(23,24)18-10-7-6-8-11-18/h6-8,10-11,17H,3-5,9,12-16H2,1-2H3,(H,20,25)/t17-/m0/s1


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