5-bromanyl-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-2-furamide Formula: C20H18BrN3O4S2 MolecularWeight: 508.40862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H18BrN3O4S2/c1-12-4-3-5-13(2)18(12)24-30(26,27)15-8-6-14(7-9-15)22-20(29)23-19(25)16-10-11-17(21)28-16/h3-11,24H,1-2H3,(H2,22,23,25,29)