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

Systemtic Name: 3-bromanyl-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H20BrN5O3S2 MolecularWeight: 534.4492

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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=NC(=CC(=N3)C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN5O3S2/c1-12-4-5-15(11-18(12)22)19(28)26-21(31)25-16-6-8-17(9-7-16)32(29,30)27-20-23-13(2)10-14(3)24-20/h4-11H,1-3H3,(H,23,24,27)(H2,25,26,28,31)