N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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