2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(hydrocinnamoylamino)thiocarbamoyl]acetamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H26BrN3O3S/c1-14(2)17-12-18(23)15(3)11-19(17)29-13-21(28)24-22(30)26-25-20(27)10-9-16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,25,27)(H2,24,26,28,30)