2-[3-(naphthalen-1-ylcarbamothioylamino)propylamino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[3-(naphthalen-1-ylcarbamothioylamino)propylamino]ethylsulfanylphosphonic acid Openeye Name: 2-[3-(1-naphthylcarbamothioylamino)propylamino]ethylsulfanylphosphonic acid CAS Name: [2-[3-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]propylamino]ethylthio]phosphonic acid IUPAC Name: 2-[3-(naphthalen-1-ylcarbamothioylamino)propylamino]ethylsulfanylphosphonic acid Traditional Name: [2-[3-(1-naphthylthiocarbamoylamino)propylamino]ethylthio]phosphonic acid Formula: C16H22N3O3PS2 MolecularWeight: 399.467941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCCCNCCSP(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCCCNCCSP(=O)(O)O

InChI

InChI=1S/C16H22N3O3PS2/c20-23(21,22)25-12-11-17-9-4-10-18-16(24)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-3,5-8,17H,4,9-12H2,(H2,18,19,24)(H2,20,21,22)