5-bromanyl-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]-2-furamide Formula: C16H16BrN3O6S MolecularWeight: 458.28374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H16BrN3O6S/c1-23-10-6-8(7-11(24-2)13(10)25-3)14(21)19-20-16(27)18-15(22)9-4-5-12(17)26-9/h4-7H,1-3H3,(H,19,21)(H2,18,20,22,27)