[2-(heptanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate

Systemtic Name: [2-(heptanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate Openeye Name: [2-(heptanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate CAS Name: [2-phenyl-2-(1-sulfanylideneheptylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-(heptanethioylamino)-2-phenylethyl] dihydrogen phosphate Traditional Name: [2-(heptanethioylamino)-2-phenyl-ethyl] dihydrogen phosphate Formula: C15H24NO4PS MolecularWeight: 345.394121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=S)NC(COP(=O)(O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(=S)NC(COP(=O)(O)O)C1=CC=CC=C1

InChI

InChI=1S/C15H24NO4PS/c1-2-3-4-8-11-15(22)16-14(12-20-21(17,18)19)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,16,22)(H2,17,18,19)