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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=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)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-5-34-23-15-8-18(16-22(23)28)25(33)31-26(35)30-21-13-11-20(12-14-21)29-24(32)17-6-9-19(10-7-17)27(2,3)4/h6-16H,5H2,1-4H3,(H,29,32)(H2,30,31,33,35)