ethyl N-[[ethoxy-(phenylazanylcarbamothioylamino)phosphoryl]carbamothioylamino]carbamate

Systemtic Name: ethyl N-[[ethoxy-(phenylazanylcarbamothioylamino)phosphoryl]carbamothioylamino]carbamate Openeye Name: ethyl N-[[(anilinocarbamothioylamino)-ethoxy-phosphoryl]carbamothioylamino]carbamate CAS Name: N-[[[[ethoxy-[[(phenylhydrazo)-sulfanylidenemethyl]amino]phosphoryl]amino]-sulfanylidenemethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[(anilinocarbamothioylamino)-ethoxyphosphoryl]carbamothioylamino]carbamate Traditional Name: N-[[(anilinothiocarbamoylamino)-ethoxy-phosphoryl]thiocarbamoylamino]carbamic acid ethyl ester Formula: C13H21N6O4PS2 MolecularWeight: 420.447401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC1=CC=CC=C1)OCC

Isomeric SMILES

CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC1=CC=CC=C1)OCC

InChI

InChI=1S/C13H21N6O4PS2/c1-3-22-13(20)17-16-12(26)19-24(21,23-4-2)18-11(25)15-14-10-8-6-5-7-9-10/h5-9,14H,3-4H2,1-2H3,(H,17,20)(H4,15,16,18,19,21,25,26)