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

Systemtic Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-ethoxypropanoylamino)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C13H15N5O7S MolecularWeight: 385.3525

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O7S/c1-2-25-4-3-11(19)15-16-13(26)14-12(20)8-5-9(17(21)22)7-10(6-8)18(23)24/h5-7H,2-4H2,1H3,(H,15,19)(H2,14,16,20,26)