N-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-N'-(4-methylpiperazin-1-ium-1-yl)carbamimidothioate

Systemtic Name: N-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-N'-(4-methylpiperazin-1-ium-1-yl)carbamimidothioate Openeye Name: N-(tert-butyl-morpholino-phenyl-$l^{5}-phosphanylidene)-N'-(4-methylpiperazin-1-ium-1-yl)carbamimidothioate CAS Name: N-[tert-butyl-(4-morpholinyl)-phenylphosphoranylidene]-N'-(4-methyl-1-piperazin-1-iumyl)carbamimidothioate IUPAC Name: N-(tert-butyl-morpholin-4-yl-phenyl-$l^{5}-phosphanylidene)-N'-(4-methylpiperazin-1-ium-1-yl)carbamimidothioate Traditional Name: N-(tert-butyl-morpholino-phenyl-phosphoranylidene)-N'-(4-methylpiperazin-1-ium-1-yl)carbamimidothioate Formula: C20H34N5OPS MolecularWeight: 423.555621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=N[NH+]1CCN(CC1)C)[S-])(C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)[P@](=N/C(=N/[NH+]1CCN(CC1)C)/[S-])(C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H34N5OPS/c1-20(2,3)27(18-8-6-5-7-9-18,25-14-16-26-17-15-25)22-19(28)21-24-12-10-23(4)11-13-24/h5-9H,10-17H2,1-4H3,(H,21,28)/t27-/m0/s1