3-nitro-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: N-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: N-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-12(2)15-8-3-4-9-16(15)28-11-17(24)21-22-19(29)20-18(25)13-6-5-7-14(10-13)23(26)27/h3-10,12H,11H2,1-2H3,(H,21,24)(H2,20,22,25,29)