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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H13BrCl2N2O3S MolecularWeight: 548.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl)Cl

InChI

InChI=1S/C23H13BrCl2N2O3S/c24-13-5-8-18(25)17(10-13)21(29)28-23(32)27-14-6-7-15(19(26)11-14)16-9-12-3-1-2-4-20(12)31-22(16)30/h1-11H,(H2,27,28,29,32)