N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C25H24BrN3O4S MolecularWeight: 542.44476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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