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

Systemtic Name: [1-naphthalen-1-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate Openeye Name: [1-methyl-2-(1-naphthyl)-2-(octanethioylamino)ethyl] dihydrogen phosphate CAS Name: [1-(1-naphthalenyl)-1-(1-sulfanylideneoctylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-naphthalen-1-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate Traditional Name: [1-methyl-2-(1-naphthyl)-2-(octanethioylamino)ethyl] dihydrogen phosphate Formula: C21H30NO4PS MolecularWeight: 423.505961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO4PS/c1-3-4-5-6-7-15-20(28)22-21(16(2)26-27(23,24)25)19-14-10-12-17-11-8-9-13-18(17)19/h8-14,16,21H,3-7,15H2,1-2H3,(H,22,28)(H2,23,24,25)