2-diethoxyphosphinothioylsulfanyl-N-[[(2,4-dinitrophenyl)amino]carbamoyl]ethanamide

Systemtic Name: 2-diethoxyphosphinothioylsulfanyl-N-[[(2,4-dinitrophenyl)amino]carbamoyl]ethanamide Openeye Name: 2-diethoxyphosphinothioylsulfanyl-N-[(2,4-dinitroanilino)carbamoyl]acetamide CAS Name: 2-(diethoxyphosphinothioylthio)-N-[[(2,4-dinitrophenyl)hydrazo]-oxomethyl]acetamide IUPAC Name: 2-diethoxyphosphinothioylsulfanyl-N-[(2,4-dinitroanilino)carbamoyl]acetamide Traditional Name: 2-(diethoxythiophosphorylthio)-N-[(2,4-dinitroanilino)carbamoyl]acetamide Formula: C13H18N5O8PS2 MolecularWeight: 467.414481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SCC(=O)NC(=O)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOP(=S)(OCC)SCC(=O)NC(=O)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N5O8PS2/c1-3-25-27(28,26-4-2)29-8-12(19)14-13(20)16-15-10-6-5-9(17(21)22)7-11(10)18(23)24/h5-7,15H,3-4,8H2,1-2H3,(H2,14,16,19,20)