3-bromanyl-4-hexoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-2-3-4-8-17-34-24-16-15-22(18-23(24)28)25(32)29-27(35)31-30-26(33)21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3,(H,30,33)(H2,29,31,32,35)