3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C22H25BrN4O5S MolecularWeight: 537.4267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C22H25BrN4O5S/c1-3-4-19(28)24-16-8-5-14(6-9-16)21(30)26-27-22(33)25-20(29)15-7-10-18(17(23)13-15)32-12-11-31-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,24,28)(H,26,30)(H2,25,27,29,33)