5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O3S/c1-17(2,3)11-6-4-10(5-7-11)14(22)20-21-16(25)19-15(23)12-8-9-13(18)24-12/h4-9H,1-3H3,(H,20,22)(H2,19,21,23,25)