N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CO2)Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CO2)Br

InChI

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