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

Systemtic Name: [4-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[4-(5-chloro-2-methylphenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C22H22ClN6O2S2- MolecularWeight: 502.03208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O2S2/c1-16-3-4-17(23)15-20(16)28-11-13-29(14-12-28)22(32)26-18-5-7-19(8-6-18)33(30,31)27-21-24-9-2-10-25-21/h2-10,15H,11-14H2,1H3,(H2,24,25,26,27,32)/p-1