3-bromanyl-4-butoxy-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O4S/c1-2-3-15-33-23-14-11-20(16-22(23)27)25(32)28-26(35)30-29-24(31)17-34-21-12-9-19(10-13-21)18-7-5-4-6-8-18/h4-14,16H,2-3,15,17H2,1H3,(H,29,31)(H2,28,30,32,35)