N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetamide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H25BrN4O4S/c1-12(2)17-10-18(23)13(3)9-19(17)31-11-20(29)25-22(32)27-26-21(30)15-5-7-16(8-6-15)24-14(4)28/h5-10,12H,11H2,1-4H3,(H,24,28)(H,26,30)(H2,25,27,29,32)