N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C19H19BrN4O6S MolecularWeight: 511.34636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C19H19BrN4O6S/c1-2-12-3-8-16(15(20)9-12)30-11-18(26)22-23-19(31)21-17(25)10-29-14-6-4-13(5-7-14)24(27)28/h3-9H,2,10-11H2,1H3,(H,22,26)(H2,21,23,25,31)