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

Systemtic Name: [1-naphthalen-2-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate Openeye Name: [1-methyl-2-(2-naphthyl)-2-(octanethioylamino)ethyl] dihydrogen phosphate CAS Name: [1-(2-naphthalenyl)-1-(1-sulfanylideneoctylamino)propan-2-yl] dihydrogen phosphate IUPAC Name: [1-naphthalen-2-yl-1-(octanethioylamino)propan-2-yl] dihydrogen phosphate Traditional Name: [1-methyl-2-(2-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=CC2=CC=CC=C2C=C1)C(C)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=S)NC(C1=CC2=CC=CC=C2C=C1)C(C)OP(=O)(O)O

InChI

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