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

Systemtic Name: 5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]-2-furamide Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C16H16BrN3O3S/c1-3-14(21)18-10-5-4-6-11(9(10)2)19-16(24)20-15(22)12-7-8-13(17)23-12/h4-8H,3H2,1-2H3,(H,18,21)(H2,19,20,22,24)