5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-furamide Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C17H18BrN3O4S/c1-9-4-5-12(8-10(9)2)24-11(3)15(22)20-21-17(26)19-16(23)13-6-7-14(18)25-13/h4-8,11H,1-3H3,(H,20,22)(H2,19,21,23,26)