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

Systemtic Name: 3,5-dinitro-N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O7S MolecularWeight: 461.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C19H19N5O7S/c1-11(2)12-3-5-16(6-4-12)31-10-17(25)21-22-19(32)20-18(26)13-7-14(23(27)28)9-15(8-13)24(29)30/h3-9,11H,10H2,1-2H3,(H,21,25)(H2,20,22,26,32)