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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C26H21BrN2O4S MolecularWeight: 537.42494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C26H21BrN2O4S/c1-14-8-9-16(19-11-17-6-4-5-7-22(17)33-25(19)31)12-21(14)28-26(34)29-24(30)20-13-18(27)10-15(2)23(20)32-3/h4-13H,1-3H3,(H2,28,29,30,34)