(phenylmethyl) 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoate

Systemtic Name: (phenylmethyl) 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoate Openeye Name: benzyl 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoate CAS Name: 3-[4-[bis(1-aziridinyl)phosphinothioylamino]phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[bis(aziridin-1-yl)phosphinothioylamino]phenyl]propanoate Traditional Name: 3-[4-(diethyleniminothiophosphorylamino)phenyl]propionic acid benzyl ester Formula: C20H24N3O2PS MolecularWeight: 401.462221

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3)N4CC4

Isomeric SMILES

C1CN1P(=S)(NC2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=C3)N4CC4

InChI

InChI=1S/C20H24N3O2PS/c24-20(25-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)21-26(27,22-12-13-22)23-14-15-23/h1-7,9-10H,8,11-16H2,(H,21,27)