5-bromanyl-2-methoxy-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C25H19BrN2O5S MolecularWeight: 539.39776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC

InChI

InChI=1S/C25H19BrN2O5S/c1-31-21-10-8-16(26)13-18(21)23(29)28-25(34)27-19-12-14(7-9-22(19)32-2)17-11-15-5-3-4-6-20(15)33-24(17)30/h3-13H,1-2H3,(H2,27,28,29,34)