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

Systemtic Name: 3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-27(2,3)21-12-9-19(10-13-21)25(33)30-31-26(35)29-24(32)20-11-14-23(22(28)17-20)34-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,30,33)(H2,29,31,32,35)