5-bromanyl-N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C21H24BrN3O4S/c1-13(2)11-29-18-8-7-15(22)10-17(18)20(27)23-21(30)25-24-19(26)12-28-16-6-4-5-14(3)9-16/h4-10,13H,11-12H2,1-3H3,(H,24,26)(H2,23,25,27,30)