2-(4-bromanylphenoxy)-N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylcarbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethylcarbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[2-(2-chloro-4-nitro-anilino)ethylcarbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[2-(2-chloro-4-nitroanilino)ethylamino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[2-(2-chloro-4-nitroanilino)ethylcarbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[2-(2-chloro-4-nitro-anilino)ethylthiocarbamoyl]acetamide Formula: C17H16BrClN4O4S MolecularWeight: 487.75534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C17H16BrClN4O4S/c18-11-1-4-13(5-2-11)27-10-16(24)22-17(28)21-8-7-20-15-6-3-12(23(25)26)9-14(15)19/h1-6,9,20H,7-8,10H2,(H2,21,22,24,28)