ditert-butyl [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate

Systemtic Name: ditert-butyl [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate Openeye Name: ditert-butyl [2-(heptanethioylamino)-2-phenyl-ethyl] phosphate CAS Name: phosphoric acid ditert-butyl [2-phenyl-2-(1-sulfanylideneheptylamino)ethyl] ester IUPAC Name: ditert-butyl [2-(heptanethioylamino)-2-phenylethyl] phosphate Traditional Name: phosphoric acid ditert-butyl [2-(heptanethioylamino)-2-phenyl-ethyl] ester Formula: C23H40NO4PS MolecularWeight: 457.606761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO4PS/c1-8-9-10-14-17-21(30)24-20(19-15-12-11-13-16-19)18-26-29(25,27-22(2,3)4)28-23(5,6)7/h11-13,15-16,20H,8-10,14,17-18H2,1-7H3,(H,24,30)