5-bromanyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24BrN3O5S/c1-13(2)11-30-18-9-4-14(22)10-17(18)20(27)23-21(31)25-24-19(26)12-29-16-7-5-15(28-3)6-8-16/h4-10,13H,11-12H2,1-3H3,(H,24,26)(H2,23,25,27,31)