N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[1-adamantyl-bis(dimethylamino)phosphoranylidene]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[1-adamantyl-bis(dimethylamino)-$l^{5}-phosphanylidene]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[1-adamantyl-bis(dimethylamino)phosphoranylidene]-4-phenyl-piperazine-1-carbothioamide Formula: C25H40N5PS MolecularWeight: 473.657361

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)P(=NC(=S)N1CCN(CC1)C2=CC=CC=C2)(C34CC5CC(C3)CC(C5)C4)N(C)C

Isomeric SMILES

CN(C)P(=NC(=S)N1CCN(CC1)C2=CC=CC=C2)(C34CC5CC(C3)CC(C5)C4)N(C)C

InChI

InChI=1S/C25H40N5PS/c1-27(2)31(28(3)4,25-17-20-14-21(18-25)16-22(15-20)19-25)26-24(32)30-12-10-29(11-13-30)23-8-6-5-7-9-23/h5-9,20-22H,10-19H2,1-4H3