5-bromanyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2-furamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H18BrN3O3S/c22-18-11-10-17(28-18)20(27)25-21(29)24-16-8-4-7-15(13-16)23-19(26)12-9-14-5-2-1-3-6-14/h1-8,10-11,13H,9,12H2,(H,23,26)(H2,24,25,27,29)