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

Systemtic Name: 5-bromanyl-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H14BrN3O4S/c19-15-7-6-14(26-15)17(24)22-18(27)21-12-4-1-3-11(9-12)16(23)20-10-13-5-2-8-25-13/h1-9H,10H2,(H,20,23)(H2,21,22,24,27)