5-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-2-furamide Formula: C16H16BrN3O3S MolecularWeight: 410.28554

Click to see the large picture

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