5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C28H30BrN3O4S MolecularWeight: 584.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrN3O4S/c1-3-19(2)21-9-12-23(13-10-21)36-18-26(33)31-32-28(37)30-27(34)24-17-22(29)11-14-25(24)35-16-15-20-7-5-4-6-8-20/h4-14,17,19H,3,15-16,18H2,1-2H3,(H,31,33)(H2,30,32,34,37)