5-bromanyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]-2-furamide Formula: C16H15BrN4O4S MolecularWeight: 439.2837

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H15BrN4O4S/c1-2-13(22)18-10-5-3-9(4-6-10)14(23)20-21-16(26)19-15(24)11-7-8-12(17)25-11/h3-8H,2H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24,26)