3-bromanyl-4-hexoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H23BrN4O5S MolecularWeight: 523.40012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O5S/c1-2-3-4-5-11-31-18-10-9-15(13-17(18)22)19(27)23-21(32)25-24-20(28)14-7-6-8-16(12-14)26(29)30/h6-10,12-13H,2-5,11H2,1H3,(H,24,28)(H2,23,25,27,32)