[1-(octanethioylamino)-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(octanethioylamino)-1-pyridin-3-yl-propan-2-yl] dihydrogen phosphate Openeye Name: [1-methyl-2-(octanethioylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate CAS Name: [1-(3-pyridinyl)-1-(1-sulfanylideneoctylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(octanethioylamino)-1-pyridin-3-ylpropan-2-yl] dihydrogen phosphate Traditional Name: [1-methyl-2-(octanethioylamino)-2-(3-pyridyl)ethyl] dihydrogen phosphate Formula: C16H27N2O4PS MolecularWeight: 374.435341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=S)NC(C1=CN=CC=C1)C(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=S)NC(C1=CN=CC=C1)C(C)OP(=O)(O)O

InChI

InChI=1S/C16H27N2O4PS/c1-3-4-5-6-7-10-15(24)18-16(13(2)22-23(19,20)21)14-9-8-11-17-12-14/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,18,24)(H2,19,20,21)