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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(4-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(4-nitrophenyl)thiocarbamoyl]acetamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4S/c1-11(2)15-9-16(20)12(3)8-17(15)27-10-18(24)22-19(28)21-13-4-6-14(7-5-13)23(25)26/h4-9,11H,10H2,1-3H3,(H2,21,22,24,28)