5-bromanyl-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c19-15-8-7-14(26-15)17(24)22-18(27)21-12-5-3-11(4-6-12)16(23)20-10-13-2-1-9-25-13/h3-8,13H,1-2,9-10H2,(H,20,23)(H2,21,22,24,27)