5-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O4S/c1-9(2)14(23)19-11-5-3-10(4-6-11)15(24)21-22-17(27)20-16(25)12-7-8-13(18)26-12/h3-9H,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25,27)