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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[(4-methoxyphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(4-methoxybenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(4-methoxybenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(p-anisoylamino)thiocarbamoyl]acetamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-12(2)16-10-17(22)13(3)9-18(16)29-11-19(26)23-21(30)25-24-20(27)14-5-7-15(28-4)8-6-14/h5-10,12H,11H2,1-4H3,(H,24,27)(H2,23,25,26,30)