5-bromanyl-2-butoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-5-bromo-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-5-bromo-2-butoxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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