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

Systemtic Name: 4-hexoxy-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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