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

Systemtic Name: 3-bromanyl-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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