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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

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