5-bromanyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[2-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C18H18BrN3O4S/c19-15-8-7-14(26-15)17(24)22-18(27)21-13-6-2-1-5-12(13)16(23)20-10-11-4-3-9-25-11/h1-2,5-8,11H,3-4,9-10H2,(H,20,23)(H2,21,22,24,27)