N-(azepan-1-ylcarbothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3,5-dinitro-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3,5-dinitro-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3,5-dinitrobenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3,5-dinitrobenzamide Traditional Name: N-(azepane-1-carbothioyl)-3,5-dinitro-benzamide Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c19-13(15-14(24)16-5-3-1-2-4-6-16)10-7-11(17(20)21)9-12(8-10)18(22)23/h7-9H,1-6H2,(H,15,19,24)