N-[3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H16BrN3O4S/c1-27-16-8-7-12(21)10-15(16)18(25)24-20(29)23-14-5-2-4-13(11-14)22-19(26)17-6-3-9-28-17/h2-11H,1H3,(H,22,26)(H2,23,24,25,29)