2-(4-bromanyl-2-chloranyl-phenoxy)-N-[(4-nitrophenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[(4-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[(4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(4-nitrophenyl)thiocarbamoyl]acetamide Formula: C15H11BrClN3O4S MolecularWeight: 444.68754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrClN3O4S/c16-9-1-6-13(12(17)7-9)24-8-14(21)19-15(25)18-10-2-4-11(5-3-10)20(22)23/h1-7H,8H2,(H2,18,19,21,25)