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

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H16BrI2N3O2S MolecularWeight: 672.11648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2Br)I)I

InChI

InChI=1S/C18H16BrI2N3O2S/c1-9(2)16(25)22-11-4-3-5-12(8-11)23-18(27)24-17(26)13-6-10(20)7-14(21)15(13)19/h3-9H,1-2H3,(H,22,25)(H2,23,24,26,27)