[4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[4-(2,5-dimethylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C23H25N6O2S2- MolecularWeight: 481.6136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C23H26N6O2S2/c1-17-4-5-18(2)21(16-17)28-12-14-29(15-13-28)23(32)26-19-6-8-20(9-7-19)33(30,31)27-22-24-10-3-11-25-22/h3-11,16H,12-15H2,1-2H3,(H2,24,25,26,27,32)/p-1