N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C18H17BrN4O5S MolecularWeight: 481.32038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O5S/c1-2-11-7-8-15(13(19)9-11)28-10-16(24)21-22-18(29)20-17(25)12-5-3-4-6-14(12)23(26)27/h3-9H,2,10H2,1H3,(H,21,24)(H2,20,22,25,29)