3,5-bis(bromanyl)-2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H21Br2N3O4S MolecularWeight: 559.27144

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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(=CC(=C2OC)Br)Br)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)OC

InChI

InChI=1S/C20H21Br2N3O4S/c1-10(2)18(26)24-15-6-5-12(9-16(15)28-3)23-20(30)25-19(27)13-7-11(21)8-14(22)17(13)29-4/h5-10H,1-4H3,(H,24,26)(H2,23,25,27,30)