5-bromanyl-N-[2-oxidanylidene-2-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[3-(2-thioxo-1H-imidazol-3-yl)anilino]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[3-(2-thioxo-4-imidazolin-1-yl)anilino]ethyl]-2-furamide Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br)N3C=CNC3=S

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br)N3C=CNC3=S

InChI

InChI=1S/C16H13BrN4O3S/c17-13-5-4-12(24-13)15(23)19-9-14(22)20-10-2-1-3-11(8-10)21-7-6-18-16(21)25/h1-8H,9H2,(H,18,25)(H,19,23)(H,20,22)