5-bromanyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-2-furamide Formula: C21H17BrClN3O4S MolecularWeight: 522.79938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H17BrClN3O4S/c1-12(29-16-5-3-2-4-15(16)23)19(27)24-13-6-8-14(9-7-13)25-21(31)26-20(28)17-10-11-18(22)30-17/h2-12H,1H3,(H,24,27)(H2,25,26,28,31)