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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]acetamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H22BrN3O4S/c1-11(2)14-9-15(21)12(3)8-18(14)28-10-19(25)23-20(29)22-16-6-5-7-17(13(16)4)24(26)27/h5-9,11H,10H2,1-4H3,(H2,22,23,25,29)