N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)ethanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)ethanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-2-(2-isopropylphenoxy)acetamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-2-(2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-2-(2-isopropylphenoxy)acetamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrN3O4S/c1-11(2)13-5-3-4-6-16(13)26-10-17(23)21-18(27)20-15-8-7-12(22(24)25)9-14(15)19/h3-9,11H,10H2,1-2H3,(H2,20,21,23,27)