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

Systemtic Name: 5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-2-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=C(C=CC(=C2)Br)OCC

Isomeric SMILES

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

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)18-12-16(23)8-11-19(18)29-5-2/h6-12,14H,4-5,13H2,1-3H3,(H,25,27)(H2,24,26,28,31)