4-(2,5-dimethylphenyl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(2S)-2-ethylhexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Formula: C21H35N3O2S2 MolecularWeight: 425.6515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2S2/c1-5-7-8-19(6-2)16-22-21(27)23-11-13-24(14-12-23)28(25,26)20-15-17(3)9-10-18(20)4/h9-10,15,19H,5-8,11-14,16H2,1-4H3,(H,22,27)/t19-/m0/s1