[4-[(2,4-dimethylphenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(2,4-dimethylphenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(2,4-dimethylphenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(2,4-dimethylphenyl)carbamothioylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(2,4-dimethylphenyl)thiocarbamoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C19H18N5O2S2- MolecularWeight: 412.50852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3)C

InChI

InChI=1S/C19H19N5O2S2/c1-13-4-9-17(14(2)12-13)23-19(27)22-15-5-7-16(8-6-15)28(25,26)24-18-20-10-3-11-21-18/h3-12H,1-2H3,(H3,20,21,22,23,24,27)/p-1