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

Systemtic Name: 3,5-dinitro-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(3-propoxyphenyl)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(3-propoxyphenyl)thiocarbamoyl]benzamide Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S/c1-2-6-27-15-5-3-4-12(9-15)18-17(28)19-16(22)11-7-13(20(23)24)10-14(8-11)21(25)26/h3-5,7-10H,2,6H2,1H3,(H2,18,19,22,28)