5-bromanyl-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-5-bromo-2-isopentyloxy-benzamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-5-bromo-2-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-5-bromo-2-(3-methylbutoxy)benzamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-5-bromo-2-isoamoxy-benzamide Formula: C21H24BrN3O5S2 MolecularWeight: 542.46636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C

InChI

InChI=1S/C21H24BrN3O5S2/c1-13(2)10-11-30-19-9-4-15(22)12-18(19)20(27)24-21(31)23-16-5-7-17(8-6-16)32(28,29)25-14(3)26/h4-9,12-13H,10-11H2,1-3H3,(H,25,26)(H2,23,24,27,31)