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

Systemtic Name: 5-bromanyl-N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-furamide Formula: C16H16BrN3O4S MolecularWeight: 426.28494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O4S/c1-9-4-3-5-11(10(9)2)23-8-14(21)19-20-16(25)18-15(22)12-6-7-13(17)24-12/h3-7H,8H2,1-2H3,(H,19,21)(H2,18,20,22,25)