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

Systemtic Name: N-[3-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)Br

InChI

InChI=1S/C21H18BrN3O4S/c1-2-28-17-9-8-13(11-16(17)22)19(26)25-21(30)24-15-6-3-5-14(12-15)23-20(27)18-7-4-10-29-18/h3-12H,2H2,1H3,(H,23,27)(H2,24,25,26,30)