N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21N5O7S MolecularWeight: 475.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O7S/c1-3-12(2)13-4-6-17(7-5-13)32-11-18(26)22-23-20(33)21-19(27)14-8-15(24(28)29)10-16(9-14)25(30)31/h4-10,12H,3,11H2,1-2H3,(H,22,26)(H2,21,23,27,33)