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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2,2-diphenylethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]acetamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O3S/c1-17(2)21-15-22(28)18(3)14-23(21)34-16-24(32)29-27(35)31-30-26(33)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,25H,16H2,1-3H3,(H,30,33)(H2,29,31,32,35)