2-(4-tert-butylphenoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-20(2,3)13-8-10-14(11-9-13)29-12-17(25)21-19(30)23-22-18(26)15-6-4-5-7-16(15)24(27)28/h4-11H,12H2,1-3H3,(H,22,26)(H2,21,23,25,30)