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

Systemtic Name: 5-bromanyl-N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H24BrN3O4S MolecularWeight: 542.44476

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H24BrN3O4S/c1-17-6-5-9-20(14-17)33-16-23(30)28-29-25(34)27-24(31)21-15-19(26)10-11-22(21)32-13-12-18-7-3-2-4-8-18/h2-11,14-15H,12-13,16H2,1H3,(H,28,30)(H2,27,29,31,34)