5-bromanyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]-2-furamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H19BrN2O3S/c22-19-12-11-18(27-19)20(25)24-21(28)23-16-9-4-10-17(14-16)26-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13H2,(H2,23,24,25,28)