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

Systemtic Name: 2-hexoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-2-3-4-7-13-30-18-12-6-5-11-17(18)20(27)22-21(31)24-23-19(26)15-9-8-10-16(14-15)25(28)29/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,23,26)(H2,22,24,27,31)