methyl N-benzamido-N'-diethoxyphosphinothioyl-carbamimidothioate

Systemtic Name: methyl N-benzamido-N'-diethoxyphosphinothioyl-carbamimidothioate Openeye Name: 1-benzamido-3-diethoxyphosphinothioyl-2-methyl-isothiourea CAS Name: N-benzamido-N'-diethoxyphosphinothioylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-benzamido-N'-diethoxyphosphinothioylcarbamimidothioate Traditional Name: 1-benzamido-3-diethoxythiophosphoryl-2-methyl-isothiourea Formula: C13H20N3O3PS2 MolecularWeight: 361.419961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(N=C(NNC(=O)C1=CC=CC=C1)SC)OCC

Isomeric SMILES

CCOP(=S)(/N=C(/NNC(=O)C1=CC=CC=C1)\SC)OCC

InChI

InChI=1S/C13H20N3O3PS2/c1-4-18-20(21,19-5-2)16-13(22-3)15-14-12(17)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,14,17)(H,15,16,21)