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

Systemtic Name: 5-bromanyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C16H16BrN3O4S MolecularWeight: 426.28494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O4S/c17-13-7-6-12(24-13)15(23)20-16(25)19-11-5-2-1-4-10(11)14(22)18-8-3-9-21/h1-2,4-7,21H,3,8-9H2,(H,18,22)(H2,19,20,23,25)