3-bromanyl-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C25H18BrClN2O4S MolecularWeight: 557.84342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=CC4=CC=CC=C4OC3=O)Cl)Br

InChI

InChI=1S/C25H18BrClN2O4S/c1-2-32-22-10-7-15(12-19(22)26)23(30)29-25(34)28-16-8-9-17(20(27)13-16)18-11-14-5-3-4-6-21(14)33-24(18)31/h3-13H,2H2,1H3,(H2,28,29,30,34)