5-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H26BrN3O5S2 MolecularWeight: 544.48224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C21H26BrN3O5S2/c1-21(2,3)25-32(27,28)16-8-6-15(7-9-16)23-20(31)24-19(26)17-13-14(22)5-10-18(17)30-12-11-29-4/h5-10,13,25H,11-12H2,1-4H3,(H2,23,24,26,31)