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

Systemtic Name: 3-bromanyl-N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H34BrN3O4S MolecularWeight: 564.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C(C)CC)Br

InChI

InChI=1S/C26H34BrN3O4S/c1-4-6-7-10-15-33-23-14-13-19(16-21(23)27)25(32)28-26(35)30-29-24(31)17-34-22-12-9-8-11-20(22)18(3)5-2/h8-9,11-14,16,18H,4-7,10,15,17H2,1-3H3,(H,29,31)(H2,28,30,32,35)