[4-[[(2S)-2-methyl-4-(3-methylphenyl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(2S)-2-methyl-4-(3-methylphenyl)piperazin-1-yl]carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(2S)-2-methyl-4-(m-tolyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[(2S)-2-methyl-4-(3-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(2S)-2-methyl-4-(3-methylphenyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(2S)-2-methyl-4-(m-tolyl)piperazine-1-carbothioyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C23H25N6O2S2- MolecularWeight: 481.6136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C4=CC=CC(=C4)C

Isomeric SMILES

C[C@H]1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C4=CC=CC(=C4)C

InChI

InChI=1S/C23H26N6O2S2/c1-17-5-3-6-20(15-17)28-13-14-29(18(2)16-28)23(32)26-19-7-9-21(10-8-19)33(30,31)27-22-24-11-4-12-25-22/h3-12,15,18H,13-14,16H2,1-2H3,(H2,24,25,26,27,32)/p-1/t18-/m0/s1