N-[4-[(4-cyano-2-fluoranyl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[(4-cyano-2-fluoranyl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[4-[(4-cyano-2-fluoro-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[(4-cyano-2-fluorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[4-[(4-cyano-2-fluoro-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C20H13FN4O3S MolecularWeight: 408.405623

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C20H13FN4O3S/c21-16-10-12(11-22)3-8-15(16)18(26)25-20(29)24-14-6-4-13(5-7-14)23-19(27)17-2-1-9-28-17/h1-10H,(H,23,27)(H2,24,25,26,29)