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

Systemtic Name: 4-heptoxy-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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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/c1-2-3-4-5-6-14-31-19-12-10-16(11-13-19)20(27)23-22(32)25-24-21(28)17-8-7-9-18(15-17)26(29)30/h7-13,15H,2-6,14H2,1H3,(H,24,28)(H2,23,25,27,32)