3-bromanyl-4-butoxy-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C20H22BrN3O5S2 MolecularWeight: 528.43978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C)Br

InChI

InChI=1S/C20H22BrN3O5S2/c1-3-4-11-29-18-10-5-14(12-17(18)21)19(26)23-20(30)22-15-6-8-16(9-7-15)31(27,28)24-13(2)25/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)(H2,22,23,26,30)