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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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