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

Systemtic Name: 3-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

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)22-11-14-25(24(29)17-22)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)