4-chloranyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C20H18ClN5O5S2 MolecularWeight: 507.97042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H18ClN5O5S2/c1-30-17-11-16(23-19(24-17)31-2)26-33(28,29)15-9-7-14(8-10-15)22-20(32)25-18(27)12-3-5-13(21)6-4-12/h3-11H,1-2H3,(H,23,24,26)(H2,22,25,27,32)