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

Systemtic Name: 5-bromanyl-N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C17H18BrN3O4S/c1-10(2)9-24-12-5-3-11(4-6-12)15(22)20-21-17(26)19-16(23)13-7-8-14(18)25-13/h3-8,10H,9H2,1-2H3,(H,20,22)(H2,19,21,23,26)