S-[(E)-(2-diethoxyphosphinothioyl-3,4-dihydroisoquinolin-1-ylidene)methyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[(E)-(2-diethoxyphosphinothioyl-3,4-dihydroisoquinolin-1-ylidene)methyl] N,N-dimethylcarbamothioate Openeye Name: S-[(E)-(2-diethoxyphosphinothioyl-3,4-dihydroisoquinolin-1-ylidene)methyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[(E)-(2-diethoxyphosphinothioyl-3,4-dihydroisoquinolin-1-ylidene)methyl] ester IUPAC Name: S-[(E)-(2-diethoxyphosphinothioyl-3,4-dihydroisoquinolin-1-ylidene)methyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[(E)-(2-diethoxythiophosphoryl-3,4-dihydroisoquinolin-1-ylidene)methyl] ester Formula: C17H25N2O3PS2 MolecularWeight: 400.495761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(N1CCC2=CC=CC=C2C1=CSC(=O)N(C)C)OCC

Isomeric SMILES

CCOP(=S)(N\1CCC2=CC=CC=C2/C1=C\SC(=O)N(C)C)OCC

InChI

InChI=1S/C17H25N2O3PS2/c1-5-21-23(24,22-6-2)19-12-11-14-9-7-8-10-15(14)16(19)13-25-17(20)18(3)4/h7-10,13H,5-6,11-12H2,1-4H3/b16-13+