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

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]acetamide Formula: C28H39N5O3S MolecularWeight: 525.70596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C28H39N5O3S/c34-26(19-28-16-20-12-21(17-28)14-22(13-20)18-28)29-27(37)32-10-8-30(9-11-32)23-4-5-24(33(35)36)25(15-23)31-6-2-1-3-7-31/h4-5,15,20-22H,1-3,6-14,16-19H2,(H,29,34,37)