3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: 3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-bromophenyl)-N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-bromophenyl)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]acrylamide Formula: C22H20BrN5O3S2 MolecularWeight: 546.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H20BrN5O3S2/c1-14-13-15(2)25-21(24-14)28-33(30,31)19-10-8-18(9-11-19)26-22(32)27-20(29)12-5-16-3-6-17(23)7-4-16/h3-13H,1-2H3,(H,24,25,28)(H2,26,27,29,32)