3-bromanyl-4-phenethyloxy-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C26H26BrN3O6S MolecularWeight: 588.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O6S/c1-33-21-14-18(15-22(34-2)23(21)35-3)25(32)29-30-26(37)28-24(31)17-9-10-20(19(27)13-17)36-12-11-16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,29,32)(H2,28,30,31,37)