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

Systemtic Name: 5-bromanyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O4S/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/h1-9H,10H2,(H,20,23)(H2,21,22,24,27)