4-(2,5-dimethylphenyl)sulfonyl-N-(4-methyl-2-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methyl-2-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methyl-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methyl-2-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methyl-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(4-methyl-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-14-5-7-17(18(12-14)24(25)26)21-20(29)22-8-10-23(11-9-22)30(27,28)19-13-15(2)4-6-16(19)3/h4-7,12-13H,8-11H2,1-3H3,(H,21,29)