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

Systemtic Name: N-[(butanoylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(butanoylamino)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-(butyramidothiocarbamoyl)-3,5-dinitro-benzamide Formula: C12H13N5O6S MolecularWeight: 355.32652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O6S/c1-2-3-10(18)14-15-12(24)13-11(19)7-4-8(16(20)21)6-9(5-7)17(22)23/h4-6H,2-3H2,1H3,(H,14,18)(H2,13,15,19,24)