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

Systemtic Name: 5-bromanyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]-2-furamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O3S/c21-17-10-9-16(27-17)19(26)24-20(28)23-15-8-4-7-14(12-15)22-18(25)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,22,25)(H2,23,24,26,28)