2-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 2-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 2-nitro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 2-nitro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 2-nitro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O5S/c30-22(18-6-2-3-7-19(18)28(31)32)24-23(35)27-14-12-25(13-15-27)17-8-9-20(29(33)34)21(16-17)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15H2,(H,24,30,35)