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

Systemtic Name: 3,5-dinitro-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3,5-dinitro-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3,5-dinitro-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3,5-dinitro-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c24-17(13-10-15(22(25)26)12-16(11-13)23(27)28)19-18(29)21-8-6-20(7-9-21)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2,(H,19,24,29)