5-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C21H24BrN3O3S/c1-3-5-12-23-19(26)15-8-6-7-9-17(15)24-21(29)25-20(27)16-13-14(22)10-11-18(16)28-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H2,24,25,27,29)