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

Systemtic Name: 2-bromanyl-3,5-bis(iodanyl)-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-3,5-diiodo-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-3,5-diiodo-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-3,5-diiodo-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H18BrI2N3O2S MolecularWeight: 686.14306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrI2N3O2S/c1-2-3-7-16(26)23-12-5-4-6-13(10-12)24-19(28)25-18(27)14-8-11(21)9-15(22)17(14)20/h4-6,8-10H,2-3,7H2,1H3,(H,23,26)(H2,24,25,27,28)