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

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4S/c1-32-19-2-3-20(21(11-19)28(30)31)26-4-6-27(7-5-26)23(33)25-22(29)15-24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18H,4-10,12-15H2,1H3,(H,25,29,33)