2-(4-bromanylphenoxy)-N-[2-[(4-nitrophenyl)amino]ethylcarbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[2-[(4-nitrophenyl)amino]ethylcarbamothioyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[2-(4-nitroanilino)ethylcarbamothioyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[[2-(4-nitroanilino)ethylamino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[2-(4-nitroanilino)ethylcarbamothioyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[2-(4-nitroanilino)ethylthiocarbamoyl]acetamide Formula: C17H17BrN4O4S MolecularWeight: 453.31028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=S)NC(=O)COC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN4O4S/c18-12-1-7-15(8-2-12)26-11-16(23)21-17(27)20-10-9-19-13-3-5-14(6-4-13)22(24)25/h1-8,19H,9-11H2,(H2,20,21,23,27)