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

Systemtic Name: 5-bromanyl-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H18BrN3O4S/c1-24-10-4-9-19-15(22)11-5-2-3-6-12(11)20-17(26)21-16(23)13-7-8-14(18)25-13/h2-3,5-8H,4,9-10H2,1H3,(H,19,22)(H2,20,21,23,26)