pentyl N'-bis(oxidanyl)phosphinothioyl-N-(2-methylphenyl)carbamimidate

Systemtic Name: pentyl N'-bis(oxidanyl)phosphinothioyl-N-(2-methylphenyl)carbamimidate Openeye Name: 3-dihydroxyphosphinothioyl-1-(o-tolyl)-2-pentyl-isourea CAS Name: N'-dihydroxyphosphinothioyl-N-(2-methylphenyl)carbamimidic acid pentyl ester IUPAC Name: pentyl N'-dihydroxyphosphinothioyl-N-(2-methylphenyl)carbamimidate Traditional Name: 2-amyl-3-dihydroxythiophosphoryl-1-(o-tolyl)isourea Formula: C13H21N2O3PS MolecularWeight: 316.356201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=NP(=S)(O)O)NC1=CC=CC=C1C

Isomeric SMILES

CCCCCO/C(=N\P(=S)(O)O)/NC1=CC=CC=C1C

InChI

InChI=1S/C13H21N2O3PS/c1-3-4-7-10-18-13(15-19(16,17)20)14-12-9-6-5-8-11(12)2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H3,14,15,16,17,20)