4-(2,5-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S2/c1-14-3-4-15(2)18(13-14)29(26,27)22-11-9-21(10-12-22)19(28)20-16-5-7-17(8-6-16)23(24)25/h3-8,13H,9-12H2,1-2H3,(H,20,28)