2-(4-tert-butylphenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6S/c1-21(2,3)14-4-8-16(9-5-14)30-12-18(26)22-20(32)24-23-19(27)13-31-17-10-6-15(7-11-17)25(28)29/h4-11H,12-13H2,1-3H3,(H,23,27)(H2,22,24,26,32)