[1-(heptanethioylamino)-1-phenyl-propan-2-yl] dihydrogen phosphate

Systemtic Name: [1-(heptanethioylamino)-1-phenyl-propan-2-yl] dihydrogen phosphate Openeye Name: [2-(heptanethioylamino)-1-methyl-2-phenyl-ethyl] dihydrogen phosphate CAS Name: [1-phenyl-1-(1-sulfanylideneheptylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-(heptanethioylamino)-1-phenylpropan-2-yl] dihydrogen phosphate Traditional Name: [2-(heptanethioylamino)-1-methyl-2-phenyl-ethyl] dihydrogen phosphate Formula: C16H26NO4PS MolecularWeight: 359.420701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=S)NC(C1=CC=CC=C1)C(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCC(=S)NC(C1=CC=CC=C1)C(C)OP(=O)(O)O

InChI

InChI=1S/C16H26NO4PS/c1-3-4-5-9-12-15(23)17-16(13(2)21-22(18,19)20)14-10-7-6-8-11-14/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,17,23)(H2,18,19,20)