5-bromanyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O4S/c1-2-18-8-11-21(12-9-18)34-17-24(31)29-30-26(35)28-25(32)22-16-20(27)10-13-23(22)33-15-14-19-6-4-3-5-7-19/h3-13,16H,2,14-15,17H2,1H3,(H,29,31)(H2,28,30,32,35)