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

Systemtic Name: 4-methoxy-3-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-methoxy-3-nitro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C24H28N6O6S MolecularWeight: 528.58072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O6S/c1-36-22-8-5-17(15-21(22)30(34)35)23(31)25-24(37)28-13-11-26(12-14-28)18-6-7-19(29(32)33)20(16-18)27-9-3-2-4-10-27/h5-8,15-16H,2-4,9-14H2,1H3,(H,25,31,37)