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

Systemtic Name: 5-bromanyl-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]-2-ethoxy-benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H29BrN4O4S/c1-5-37-23-15-12-20(29)16-22(23)26(36)31-27(38)33-32-25(35)18-8-13-21(14-9-18)30-24(34)17-6-10-19(11-7-17)28(2,3)4/h6-16H,5H2,1-4H3,(H,30,34)(H,32,35)(H2,31,33,36,38)