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

Systemtic Name: N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-methoxy-phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxyphenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-methoxy-phenyl]-2-furamide Formula: C21H18BrN3O5S MolecularWeight: 504.35372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H18BrN3O5S/c1-28-16-7-5-12(10-14(16)22)19(26)25-21(31)24-15-11-13(6-8-17(15)29-2)23-20(27)18-4-3-9-30-18/h3-11H,1-2H3,(H,23,27)(H2,24,25,26,31)