3,5-dinitro-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C20H20N6O7S MolecularWeight: 488.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O7S/c1-2-3-4-17(27)21-14-7-5-12(6-8-14)19(29)23-24-20(34)22-18(28)13-9-15(25(30)31)11-16(10-13)26(32)33/h5-11H,2-4H2,1H3,(H,21,27)(H,23,29)(H2,22,24,28,34)