3-bromanyl-4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)OC

InChI

InChI=1S/C20H22BrN3O4S/c1-11(2)18(25)23-15-7-6-13(10-17(15)28-4)22-20(29)24-19(26)12-5-8-16(27-3)14(21)9-12/h5-11H,1-4H3,(H,23,25)(H2,22,24,26,29)