O-[2-(aziridin-1-yl)ethyl] N-bis[2-(aziridin-1-yl)ethoxycarbothioylamino]phosphorylcarbamothioate

Systemtic Name: O-[2-(aziridin-1-yl)ethyl] N-bis[2-(aziridin-1-yl)ethoxycarbothioylamino]phosphorylcarbamothioate Openeye Name: O-[2-(aziridin-1-yl)ethyl] N-bis[2-(aziridin-1-yl)ethoxycarbothioylamino]phosphorylcarbamothioate CAS Name: N-bis[[2-(1-aziridinyl)ethoxy-sulfanylidenemethyl]amino]phosphorylcarbamothioic acid O-[2-(1-aziridinyl)ethyl] ester IUPAC Name: O-[2-(aziridin-1-yl)ethyl] N-bis[2-(aziridin-1-yl)ethoxycarbothioylamino]phosphorylcarbamothioate Traditional Name: N-bis(2-ethyleniminoethoxycarbothioylamino)phosphorylthiocarbamic acid O-(2-ethyleniminoethyl) ester Formula: C15H27N6O4PS3 MolecularWeight: 482.581441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCOC(=S)NP(=O)(NC(=S)OCCN2CC2)NC(=S)OCCN3CC3

Isomeric SMILES

C1CN1CCOC(=S)NP(=O)(NC(=S)OCCN2CC2)NC(=S)OCCN3CC3

InChI

InChI=1S/C15H27N6O4PS3/c22-26(16-13(27)23-10-7-19-1-2-19,17-14(28)24-11-8-20-3-4-20)18-15(29)25-12-9-21-5-6-21/h1-12H2,(H3,16,17,18,22,27,28,29)