N-[(2S)-2-ethylhexyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-(3-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H30FN3O2S2 MolecularWeight: 415.588803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30FN3O2S2/c1-3-5-7-16(4-2)15-21-19(26)22-10-12-23(13-11-22)27(24,25)18-9-6-8-17(20)14-18/h6,8-9,14,16H,3-5,7,10-13,15H2,1-2H3,(H,21,26)/t16-/m0/s1