3-(2-methylpropoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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