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

Systemtic Name: 5-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C22H25BrN4O5S MolecularWeight: 537.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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