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

Systemtic Name: N-(4-methylpiperazin-1-yl)carbothioyl-3,5-dinitro-benzamide Openeye Name: N-(4-methylpiperazine-1-carbothioyl)-3,5-dinitro-benzamide CAS Name: N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-methylpiperazine-1-carbothioyl)-3,5-dinitrobenzamide Traditional Name: N-(4-methylpiperazine-1-carbothioyl)-3,5-dinitro-benzamide Formula: C13H15N5O5S MolecularWeight: 353.3537

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S/c1-15-2-4-16(5-3-15)13(24)14-12(19)9-6-10(17(20)21)8-11(7-9)18(22)23/h6-8H,2-5H2,1H3,(H,14,19,24)