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

Systemtic Name: 3-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-4-ethoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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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)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-4-14(3)15-6-9-17(10-7-15)30-13-20(27)25-26-22(31)24-21(28)16-8-11-19(29-5-2)18(23)12-16/h6-12,14H,4-5,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)