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

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Formula: C20H33N3O2S2 MolecularWeight: 411.62492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H33N3O2S2/c1-3-5-9-18(4-2)16-21-20(26)22-12-14-23(15-13-22)27(24,25)17-19-10-7-6-8-11-19/h6-8,10-11,18H,3-5,9,12-17H2,1-2H3,(H,21,26)/t18-/m0/s1