N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-(2-bromanyl-4-ethyl-phenoxy)ethanamide

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-(2-bromanyl-4-ethyl-phenoxy)ethanamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(2-bromo-4-ethyl-phenoxy)acetamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-bromo-4-ethylphenoxy)acetamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-2-(2-bromo-4-ethyl-phenoxy)acetamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C)Br

InChI

InChI=1S/C20H21BrN4O4S/c1-3-13-4-9-17(16(21)10-13)29-11-18(27)23-20(30)25-24-19(28)14-5-7-15(8-6-14)22-12(2)26/h4-10H,3,11H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,30)