propyl N-(2-methyl-4-nitro-phenyl)-N'-[propoxy(propylsulfanyl)phosphoryl]carbamimidothioate

Systemtic Name: propyl N-(2-methyl-4-nitro-phenyl)-N'-[propoxy(propylsulfanyl)phosphoryl]carbamimidothioate Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-[propoxy(propylsulfanyl)phosphoryl]-2-propyl-isothiourea CAS Name: N-(2-methyl-4-nitrophenyl)-N'-[propoxy-(propylthio)phosphoryl]carbamimidothioic acid propyl ester IUPAC Name: propyl N-(2-methyl-4-nitrophenyl)-N'-[propoxy(propylsulfanyl)phosphoryl]carbamimidothioate Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-[propoxy-(propylthio)phosphoryl]-2-propyl-isothiourea Formula: C17H28N3O4PS2 MolecularWeight: 433.525681

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(N=C(NC1=C(C=C(C=C1)[N+](=O)[O-])C)SCCC)SCCC

Isomeric SMILES

CCCOP(=O)(/N=C(/NC1=C(C=C(C=C1)[N+](=O)[O-])C)\SCCC)SCCC

InChI

InChI=1S/C17H28N3O4PS2/c1-5-10-24-25(23,27-12-7-3)19-17(26-11-6-2)18-16-9-8-15(20(21)22)13-14(16)4/h8-9,13H,5-7,10-12H2,1-4H3,(H,18,19,23)