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

Systemtic Name: N-[(2S)-2-ethylhexyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(2S)-2-ethylhexyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(2S)-2-ethylhexyl]-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(2S)-2-ethylhexyl]-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[(2S)-2-ethylhexyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C17H29N3O2S3 MolecularWeight: 403.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H29N3O2S3/c1-3-5-7-15(4-2)14-18-17(23)19-9-11-20(12-10-19)25(21,22)16-8-6-13-24-16/h6,8,13,15H,3-5,7,9-12,14H2,1-2H3,(H,18,23)/t15-/m0/s1