5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]-2-furamide Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4S/c1-3-11(2)12-4-6-13(7-5-12)25-10-16(23)21-22-18(27)20-17(24)14-8-9-15(19)26-14/h4-9,11H,3,10H2,1-2H3,(H,21,23)(H2,20,22,24,27)