4-nitro-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-nitro-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-nitro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-nitro-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-nitro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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