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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: 5-bromo-N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C26H21BrN2O5S MolecularWeight: 553.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)OC

InChI

InChI=1S/C26H21BrN2O5S/c1-14-10-17(27)13-19(23(14)33-3)24(30)29-26(35)28-20-12-15(8-9-22(20)32-2)18-11-16-6-4-5-7-21(16)34-25(18)31/h4-13H,1-3H3,(H2,28,29,30,35)