[4-[(4-phenylpiperazin-1-yl)carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(4-phenylpiperazin-1-yl)carbothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(4-phenylpiperazine-1-carbothioyl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(4-phenylpiperazine-1-carbothioyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(4-phenylpiperazine-1-carbothioyl)amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H21N6O2S2- MolecularWeight: 453.56044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C21H22N6O2S2/c28-31(29,25-20-22-11-4-12-23-20)19-9-7-17(8-10-19)24-21(30)27-15-13-26(14-16-27)18-5-2-1-3-6-18/h1-12H,13-16H2,(H2,22,23,24,25,30)/p-1