3-bromanyl-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[[4-(sec-butylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-4-isopropoxy-N-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O4S2/c1-5-14(4)25-31(27,28)17-9-7-16(8-10-17)23-21(30)24-20(26)15-6-11-19(18(22)12-15)29-13(2)3/h6-14,25H,5H2,1-4H3,(H2,23,24,26,30)