4-bromanyl-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]benzamide Formula: C19H16BrN5O4S2 MolecularWeight: 522.39544

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O4S2/c1-29-17-10-16(21-11-22-17)25-31(27,28)15-8-6-14(7-9-15)23-19(30)24-18(26)12-2-4-13(20)5-3-12/h2-11H,1H3,(H,21,22,25)(H2,23,24,26,30)