5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-2-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=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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