N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H16BrN5O7S MolecularWeight: 526.31794

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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-])[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O7S/c1-2-10-3-4-15(14(19)5-10)31-9-16(25)21-22-18(32)20-17(26)11-6-12(23(27)28)8-13(7-11)24(29)30/h3-8H,2,9H2,1H3,(H,21,25)(H2,20,22,26,32)