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

Systemtic Name: 5-bromanyl-N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-2-propoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-2-propoxy-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(C)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(C)CC

InChI

InChI=1S/C23H28BrN3O4S/c1-4-12-30-20-11-8-17(24)13-19(20)22(29)25-23(32)27-26-21(28)14-31-18-9-6-16(7-10-18)15(3)5-2/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,26,28)(H2,25,27,29,32)