N-(4-methylpiperidin-1-yl)carbothioyl-3,5-dinitro-benzamide

Systemtic Name: N-(4-methylpiperidin-1-yl)carbothioyl-3,5-dinitro-benzamide Openeye Name: N-(4-methylpiperidine-1-carbothioyl)-3,5-dinitro-benzamide CAS Name: N-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-methylpiperidine-1-carbothioyl)-3,5-dinitrobenzamide Traditional Name: N-(4-methylpiperidine-1-carbothioyl)-3,5-dinitro-benzamide Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c1-9-2-4-16(5-3-9)14(24)15-13(19)10-6-11(17(20)21)8-12(7-10)18(22)23/h6-9H,2-5H2,1H3,(H,15,19,24)