4-methylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-methylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-methylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-methylsulfonyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-methylsulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-mesyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C12H16N4O4S2 MolecularWeight: 344.40984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S2/c1-22(19,20)15-8-6-14(7-9-15)12(21)13-10-2-4-11(5-3-10)16(17)18/h2-5H,6-9H2,1H3,(H,13,21)