3-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C26H26BrN3O2S MolecularWeight: 524.47254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C26H26BrN3O2S/c1-16-8-9-18(14-22(16)27)24(32)30-25(33)29-21-7-5-6-20(15-21)28-23(31)17-10-12-19(13-11-17)26(2,3)4/h5-15H,1-4H3,(H,28,31)(H2,29,30,32,33)