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

Systemtic Name: 3,5-dinitro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C23H19N5O6S MolecularWeight: 493.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O6S/c29-21(10-9-15-5-2-1-3-6-15)24-17-7-4-8-18(13-17)25-23(35)26-22(30)16-11-19(27(31)32)14-20(12-16)28(33)34/h1-8,11-14H,9-10H2,(H,24,29)(H2,25,26,30,35)