2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H15BrClN3O4S MolecularWeight: 472.7407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3O4S/c1-2-10-3-6-15(12(18)7-10)26-9-16(23)21-17(27)20-11-4-5-13(19)14(8-11)22(24)25/h3-8H,2,9H2,1H3,(H2,20,21,23,27)