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

Systemtic Name: 3-(4-bromophenyl)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(4-bromophenyl)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(4-bromophenyl)-N-[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(4-bromophenyl)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(4-bromophenyl)-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]acrylamide Formula: C22H20BrN5O5S2 MolecularWeight: 578.4587

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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)C=CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H20BrN5O5S2/c1-32-20-13-18(25-21(27-20)33-2)28-35(30,31)17-10-8-16(9-11-17)24-22(34)26-19(29)12-5-14-3-6-15(23)7-4-14/h3-13H,1-2H3,(H,25,27,28)(H2,24,26,29,34)