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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H24BrN3O2S MolecularWeight: 510.44596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O2S/c1-25(2,3)20-14-13-19(15-21(20)26)22(30)27-24(32)29-28-23(31)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,28,31)(H2,27,29,30,32)