N-morpholin-4-ylcarbothioyl-3,5-dinitro-benzamide

Systemtic Name: N-morpholin-4-ylcarbothioyl-3,5-dinitro-benzamide Openeye Name: N-(morpholine-4-carbothioyl)-3,5-dinitro-benzamide CAS Name: N-[4-morpholinyl(sulfanylidene)methyl]-3,5-dinitrobenzamide IUPAC Name: N-(morpholine-4-carbothioyl)-3,5-dinitrobenzamide Traditional Name: N-(morpholine-4-carbothioyl)-3,5-dinitro-benzamide Formula: C12H12N4O6S MolecularWeight: 340.31188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O6S/c17-11(13-12(23)14-1-3-22-4-2-14)8-5-9(15(18)19)7-10(6-8)16(20)21/h5-7H,1-4H2,(H,13,17,23)