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

Systemtic Name: 4-heptoxy-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-2-3-4-5-8-15-31-17-13-11-16(12-14-17)20(27)23-22(32)25-24-21(28)18-9-6-7-10-19(18)26(29)30/h6-7,9-14H,2-5,8,15H2,1H3,(H,24,28)(H2,23,25,27,32)