N'-(phenylmethyl)-N-(2-phosphonatosulfanylethyl)propane-1,3-diamine

Systemtic Name: N'-(phenylmethyl)-N-(2-phosphonatosulfanylethyl)propane-1,3-diamine Openeye Name: N'-benzyl-N-(2-phosphonatosulfanylethyl)propane-1,3-diamine CAS Name: N'-(phenylmethyl)-N-[2-(phosphonatothio)ethyl]propane-1,3-diamine IUPAC Name: N'-benzyl-N-(2-phosphonatosulfanylethyl)propane-1,3-diamine Traditional Name: benzyl-[3-[2-(phosphonatothio)ethylamino]propyl]amine Formula: C12H19N2O3PS-2 MolecularWeight: 302.329621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCNCCSP(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNCCCNCCSP(=O)([O-])[O-]

InChI

InChI=1S/C12H21N2O3PS/c15-18(16,17)19-10-9-13-7-4-8-14-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,15,16,17)/p-2