3-bromanyl-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C)Br

Isomeric SMILES

CC(C)OC1=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/c1-13(2)29-18-11-6-14(12-17(18)22)19(26)24-20(30)23-15-7-9-16(10-8-15)31(27,28)25-21(3,4)5/h6-13,25H,1-5H3,(H2,23,24,26,30)