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

Systemtic Name: 5-bromanyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O4S/c1-17-12-18(2)14-21(13-17)34-16-24(31)29-30-26(35)28-25(32)22-15-20(27)8-9-23(22)33-11-10-19-6-4-3-5-7-19/h3-9,12-15H,10-11,16H2,1-2H3,(H,29,31)(H2,28,30,32,35)