[2-methyl-1-naphthalen-1-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-1-naphthalen-1-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-2-(1-naphthyl)-2-(octanethioylamino)ethyl] dihydrogen phosphate CAS Name: [2-methyl-1-(1-naphthalenyl)-1-(1-sulfanylideneoctylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-1-naphthalen-1-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-2-(1-naphthyl)-2-(octanethioylamino)ethyl] dihydrogen phosphate Formula: C22H32NO4PS MolecularWeight: 437.532541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=S)NC(C1=CC=CC2=CC=CC=C21)C(C)(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=S)NC(C1=CC=CC2=CC=CC=C21)C(C)(C)OP(=O)(O)O

InChI

InChI=1S/C22H32NO4PS/c1-4-5-6-7-8-16-20(29)23-21(22(2,3)27-28(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,4-8,16H2,1-3H3,(H,23,29)(H2,24,25,26)