N-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-methyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-methyl-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-methyl-4-nosyl-piperazine-1-carbothioamide Formula: C12H16N4O4S2 MolecularWeight: 344.40984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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