3-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(tert-butylsulfamoyl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C)Br

InChI

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