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

Systemtic Name: 5-bromanyl-N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C28H30BrN3O4S MolecularWeight: 584.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrN3O4S/c1-28(2,3)19-7-5-18(6-8-19)25(33)30-21-10-12-22(13-11-21)31-27(37)32-26(34)23-17-20(29)9-14-24(23)36-16-15-35-4/h5-14,17H,15-16H2,1-4H3,(H,30,33)(H2,31,32,34,37)