N-[3-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]phenyl]-2-furamide Formula: C22H20BrN3O5S MolecularWeight: 518.3803

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)Br

InChI

InChI=1S/C22H20BrN3O5S/c1-29-10-11-31-18-8-7-14(12-17(18)23)20(27)26-22(32)25-16-5-2-4-15(13-16)24-21(28)19-6-3-9-30-19/h2-9,12-13H,10-11H2,1H3,(H,24,28)(H2,25,26,27,32)