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

Systemtic Name: 3-bromanyl-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H20BrN5O5S2 MolecularWeight: 566.448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)Br

InChI

InChI=1S/C21H20BrN5O5S2/c1-12-4-5-13(10-16(12)22)19(28)26-21(33)23-14-6-8-15(9-7-14)34(29,30)27-17-11-18(31-2)25-20(24-17)32-3/h4-11H,1-3H3,(H,24,25,27)(H2,23,26,28,33)