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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C18H18BrN3O4S/c1-3-12-5-7-16(14(19)8-12)26-10-17(23)21-18(27)20-15-9-13(22(24)25)6-4-11(15)2/h4-9H,3,10H2,1-2H3,(H2,20,21,23,27)