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

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-tosyl-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)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2S2/c1-4-6-7-18(5-2)16-21-20(26)22-12-14-23(15-13-22)27(24,25)19-10-8-17(3)9-11-19/h8-11,18H,4-7,12-16H2,1-3H3,(H,21,26)/t18-/m0/s1