2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]acetamide Formula: C22H21BrClN3O3S2 MolecularWeight: 554.90744

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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=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C22H21BrClN3O3S2/c1-11(2)14-9-15(23)12(3)8-16(14)30-10-18(28)25-22(31)27-26-21(29)20-19(24)13-6-4-5-7-17(13)32-20/h4-9,11H,10H2,1-3H3,(H,26,29)(H2,25,27,28,31)