N-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: N-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: N-methyl-4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-mesyl-2-nitro-phenyl)-N-methyl-piperazine-1-carbothioamide Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S2/c1-14-13(22)16-7-5-15(6-8-16)11-4-3-10(23(2,20)21)9-12(11)17(18)19/h3-4,9H,5-8H2,1-2H3,(H,14,22)