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4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide
4-(2,5-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]
Isomeric SMILES
COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O6S2/c1-28-16-6-7-17(29-2)18(13-16)31(26,27)22-10-8-21(9-11-22)19(30)20-14-4-3-5-15(12-14)23(24)25/h3-7,12-13H,8-11H2,1-2H3,(H,20,30)
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