4-(2-adamantyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H30N4O3S/c1-29-20-13-18(26(27)28)2-3-19(20)23-22(30)25-6-4-24(5-7-25)21-16-9-14-8-15(11-16)12-17(21)10-14/h2-3,13-17,21H,4-12H2,1H3,(H,23,30)