3,5-dinitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O6S MolecularWeight: 417.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/c23-15(7-6-11-4-2-1-3-5-11)19-20-17(29)18-16(24)12-8-13(21(25)26)10-14(9-12)22(27)28/h1-5,8-10H,6-7H2,(H,19,23)(H2,18,20,24,29)